[4-(1-adamantyl)-3-methoxyphenyl]methanol

C18H24O2 — CID 54143091

IUPAC[4-(1-adamantyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O2/c1-20-17-7-12(11-19)2-3-16(17)18-8-13-4-14(9-18)6-15(5-13)10-18/h2-3,7,13-15,19H,4-6,8-11H2,1H3
InChIKeyOCLLAWVKWABFMR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.66
Rot. Bonds3

About [4-(1-adamantyl)-3-methoxyphenyl]methanol

[4-(1-adamantyl)-3-methoxyphenyl]methanol (PubChem CID 54143091) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-(1-adamantyl)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(1-adamantyl)-3-methoxyphenyl]methanol
PubChem CID54143091
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name[4-(1-adamantyl)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O2/c1-20-17-7-12(11-19)2-3-16(17)18-8-13-4-14(9-18)6-15(5-13)10-18/h2-3,7,13-15,19H,4-6,8-11H2,1H3
InChIKeyOCLLAWVKWABFMR-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1-adamantyl)-3-methoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Deoxy-HU210
CID 9799540
4-(1,1-Dimethyl-heptyl)-2''-methoxy-biphenyl-2-ol
CID 11290338
cis-(1R,3S)-3-[2-methoxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-ol
CID 49863973
(1S,2R,11R,14S,15R,18S,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol
CID 11384395
Npc482626
CID 24667
Benzo[d]xanthen-10-ol, 1,2,3,4,4a,5,6,7,7a,8-decahydro-4,4,7,7a-tetramethyl-, (7S,7aR,13aS)-
CID 5270506
4-(1,1-Dimethyl-heptyl)-3''-methoxy-biphenyl-2-ol
CID 44431961
cis-(1R,3S)-3-[2-methoxy-4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
CID 46918944
trans-(1S,3S)-3-[2-methoxy-4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
CID 49863580
[3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-6H-benzo[c]chromen-9-yl]-methanol
CID 10546891
[(6aR,10aR)-3-(6,6-dimethylheptyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methanol
CID 71459922
(6aR,10aR)-3-(1-adamantyl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CID 71662074

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(1-adamantyl)-3-methoxyphenyl]methanol (CID 54143091) is [4-(1-adamantyl)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(1-adamantyl)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(1-adamantyl)-3-methoxyphenyl]methanol is COc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [4-(1-adamantyl)-3-methoxyphenyl]methanol?
The InChIKey is OCLLAWVKWABFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-20-17-7-12(11-19)2-3-16(17)18-8-13-4-14(9-18)6-15(5-13)10-18/h2-3,7,13-15,19H,4-6,8-11H2,1H3.
What are the key properties of [4-(1-adamantyl)-3-methoxyphenyl]methanol?
[4-(1-adamantyl)-3-methoxyphenyl]methanol has a molecular weight of 272.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)-3-methoxyphenyl]methanol is sourced from PubChem (CID 54143091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).