(R)-1-adamantyl-(4-methoxyphenyl)methanol

C18H24O2 — CID 7064962

IUPAC(R)-1-adamantyl-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24O2/c1-20-16-4-2-15(3-5-16)17(19)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,17,19H,6-11H2,1H3/t12?,13?,14?,17-,18?/m0/s1
InChIKeyKNQJEEXXKZYBOT-BMRMXDDPSA-N
MW272.39 g/mol
LogP3.94
Rot. Bonds3

About (R)-1-adamantyl-(4-methoxyphenyl)methanol

(R)-1-adamantyl-(4-methoxyphenyl)methanol (PubChem CID 7064962) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (R)-1-adamantyl-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-1-adamantyl-(4-methoxyphenyl)methanol
PubChem CID7064962
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(R)-1-adamantyl-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24O2/c1-20-16-4-2-15(3-5-16)17(19)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,17,19H,6-11H2,1H3/t12?,13?,14?,17-,18?/m0/s1
InChIKeyKNQJEEXXKZYBOT-BMRMXDDPSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-adamantyl-(4-aminophenyl)methanol
CID 139076507
1-adamantyl-(4-chlorophenyl)methanol
CID 55186220
1-adamantyl-[4-(dimethylamino)phenyl]methanol;hydrochloride
CID 70589272
1-adamantyl-(2-methoxyphenyl)methanol
CID 63410949
2-[3-(1-adamantyl)-3-(4-methoxyphenyl)prop-1-ynyl]benzoic acid
CID 67663521
1-[2-bromo-2-(4-methoxyphenyl)ethyl]adamantane
CID 79987416
1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63019202
1-adamantyl-(1-methylpyrazol-4-yl)methanol
CID 61088213
[1-(dimethylamino)cyclohexyl]-(4-methoxyphenyl)methanol
CID 79067098
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol
CID 102346036
1-adamantyl-(2-methylphenyl)methanol
CID 63410950
1-[1-(1-adamantyl)ethyl]-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907609

Frequently Asked Questions

What is the IUPAC name of (R)-1-adamantyl-(4-methoxyphenyl)methanol?
The IUPAC name of (R)-1-adamantyl-(4-methoxyphenyl)methanol (CID 7064962) is (R)-1-adamantyl-(4-methoxyphenyl)methanol.
What is the SMILES notation for (R)-1-adamantyl-(4-methoxyphenyl)methanol?
The canonical SMILES for (R)-1-adamantyl-(4-methoxyphenyl)methanol is COc1ccc([C@H](O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (R)-1-adamantyl-(4-methoxyphenyl)methanol?
The InChIKey is KNQJEEXXKZYBOT-BMRMXDDPSA-N. The full InChI is InChI=1S/C18H24O2/c1-20-16-4-2-15(3-5-16)17(19)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,17,19H,6-11H2,1H3/t12?,13?,14?,17-,18?/m0/s1.
What are the key properties of (R)-1-adamantyl-(4-methoxyphenyl)methanol?
(R)-1-adamantyl-(4-methoxyphenyl)methanol has a molecular weight of 272.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1-adamantyl-(4-methoxyphenyl)methanol is sourced from PubChem (CID 7064962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).