3-(1-phenylethyl)adamantan-1-ol

C18H24O — CID 178183380

IUPAC3-(1-phenylethyl)adamantan-1-ol
SMILESCC(c1ccccc1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24O/c1-13(16-5-3-2-4-6-16)17-8-14-7-15(9-17)11-18(19,10-14)12-17/h2-6,13-15,19H,7-12H2,1H3
InChIKeyNYNNGVALAOJVMO-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.12
Rot. Bonds2

About 3-(1-phenylethyl)adamantan-1-ol

3-(1-phenylethyl)adamantan-1-ol (PubChem CID 178183380) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(1-phenylethyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(1-phenylethyl)adamantan-1-ol
PubChem CID178183380
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name3-(1-phenylethyl)adamantan-1-ol
SMILESCC(c1ccccc1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24O/c1-13(16-5-3-2-4-6-16)17-8-14-7-15(9-17)11-18(19,10-14)12-17/h2-6,13-15,19H,7-12H2,1H3
InChIKeyNYNNGVALAOJVMO-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
(5S,7S)-3-[(1S)-1-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]adamantan-1-ol
CID 98329428
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431
(1S,3S,5S)-2-[(2R)-2-(3-hydroxy-1-adamantyl)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 70938221
N-(2-acetamidophenyl)-2-[[(1S)-1-[(5S,7S)-3-hydroxy-1-adamantyl]ethyl]amino]acetamide
CID 98271399
3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
CID 134711908
ethyl 2-(3-hydroxy-1-adamantyl)-2-[(1R)-1-phenylethyl]iminoacetate
CID 86297494
2-(3-hydroxy-1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid
CID 123169570
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol
CID 57369169
tert-butyl N-[(1S)-2-[[(1R)-3-amino-3-oxo-1-phenylpropyl]amino]-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate
CID 87056465
carbamic acid;(2R)-2-(3-hydroxy-1-adamantyl)-1-[(1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-phenylethanone
CID 159508683

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)adamantan-1-ol?
The IUPAC name of 3-(1-phenylethyl)adamantan-1-ol (CID 178183380) is 3-(1-phenylethyl)adamantan-1-ol.
What is the SMILES notation for 3-(1-phenylethyl)adamantan-1-ol?
The canonical SMILES for 3-(1-phenylethyl)adamantan-1-ol is CC(c1ccccc1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-(1-phenylethyl)adamantan-1-ol?
The InChIKey is NYNNGVALAOJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-13(16-5-3-2-4-6-16)17-8-14-7-15(9-17)11-18(19,10-14)12-17/h2-6,13-15,19H,7-12H2,1H3.
What are the key properties of 3-(1-phenylethyl)adamantan-1-ol?
3-(1-phenylethyl)adamantan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)adamantan-1-ol is sourced from PubChem (CID 178183380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).