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2-PHENYL-ADAMANTAN-2-OL , CAS No.29480-18-0
Basic Description
Synonyms
2-phenyladamantan-2-ol | 29480-18-0 | ChemDiv3_000567 | 2-Phenyl-2-adamantanol # | Oprea1_851100 | Adamantan-2-ol, 2-phenyl- | SCHEMBL6896759 | 2-PHENYL-ADAMANTAN-2-OL | DTXSID10341219 | FSVUOZUVEZBKGB-UHFFFAOYSA-N | HMS1474J17 | MFCD00230988 | AKOS001484810 | NCGC00172733-01 | LS-0
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-phenyladamantan-2-ol
INCHI
InChI=1S/C16H20O/c17-16(13-4-2-1-3-5-13)14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15,17H,6-10H2
InChIKey
FSVUOZUVEZBKGB-UHFFFAOYSA-N
Smiles
C1C2CC3CC1CC(C2)C3(C4=CC=CC=C4)O
Isomeric SMILES
C1C2CC3CC1CC(C2)C3(C4=CC=CC=C4)O
PubChem CID
571171
Molecular Weight
228.337
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.330 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
228.151 Da
Monoisotopic Mass
228.151 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
275.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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