[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

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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).