1-adamantyl-(2-methoxyphenyl)methanol

C18H24O2 — CID 63410949

IUPAC1-adamantyl-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O2/c1-20-16-5-3-2-4-15(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
InChIKeyFZJIIBBQNSHQIF-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.94
Rot. Bonds3

About 1-adamantyl-(2-methoxyphenyl)methanol

1-adamantyl-(2-methoxyphenyl)methanol (PubChem CID 63410949) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-adamantyl-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name1-adamantyl-(2-methoxyphenyl)methanol
PubChem CID63410949
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-adamantyl-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O2/c1-20-16-5-3-2-4-15(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
InChIKeyFZJIIBBQNSHQIF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-methoxyphenyl)methanol?
The IUPAC name of 1-adamantyl-(2-methoxyphenyl)methanol (CID 63410949) is 1-adamantyl-(2-methoxyphenyl)methanol.
What is the SMILES notation for 1-adamantyl-(2-methoxyphenyl)methanol?
The canonical SMILES for 1-adamantyl-(2-methoxyphenyl)methanol is COc1ccccc1C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-methoxyphenyl)methanol?
The InChIKey is FZJIIBBQNSHQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-20-16-5-3-2-4-15(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.
What are the key properties of 1-adamantyl-(2-methoxyphenyl)methanol?
1-adamantyl-(2-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 1-adamantyl-(2-methoxyphenyl)methanol is sourced from PubChem (CID 63410949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).