2-Phenyl-2-adamantanol

CAT: 0127-OR1098008Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

29480-18-0

MDL Number

MFCD00230988

Smiles

OC1 (C2CC3CC1CC (C2) C3) c1ccccc1

Chemical Information

2-Phenyl-adamantan-2-OL

CAS Number	29480-18-0
PubChem CID	571171
IUPAC Name	2-phenyladamantan-2-ol
Molecular Formula	C16H20O
Molecular Weight	228.33
XLogP	3.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	275

SMILES

C1C2CC3CC1CC(C2)C3(C4=CC=CC=C4)O

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

Chemical Structure

2D Structure

CAS: 29480-18-0

CID: 571171

Formula: C16H20O

MW: 228.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.33
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	228.151415257
Monoisotopic Mass	228.151415257
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP18908	2-Adamantanol
OR300820	2-Phenyl-2-[2- (Phenyl) ethylamino]acetonitrile
PC7133	1-[5-Bromo-2- (2,2,2-trifluoroethoxy) phenyl]adamantane
PC1022115-01	Phenyl (4- (2,2,2-trifluoroethoxy) phenyl) methanone
OR300866	2-Phenyl-2-[2- (Phenyl) ethylamino]acetonitrile hydrochloride
OR315788	3-Amino-1-adamantanol hydrochloride
OR1092501-01	Phenyl[2- (phenylmethyl) phenyl]methanone
OR1059830-01	(2- (Dicyclohexylphosphino) phenyl) (phenyl) methanone
OR1086622-01	(2- (ethylthio) phenyl) (phenyl) methanone
PC1009217-01	(2- (difluoromethyl) phenyl) (phenyl) methanone