2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol

C12H16O3 — CID 118899137

IUPAC2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol
SMILESCOc1cccc(C(C)(O)C2CC2)c1O
InChIInChI=1S/C12H16O3/c1-12(14,8-6-7-8)9-4-3-5-10(15-2)11(9)13/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyNWKLCLQIYJKNIK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.02
Rot. Bonds3

About 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol

2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol (PubChem CID 118899137) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol
PubChem CID118899137
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol
SMILESCOc1cccc(C(C)(O)C2CC2)c1O
InChIInChI=1S/C12H16O3/c1-12(14,8-6-7-8)9-4-3-5-10(15-2)11(9)13/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyNWKLCLQIYJKNIK-UHFFFAOYSA-N
XLogP2.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
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1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-cyclohexyl-1-(2-propoxyphenyl)ethanol
CID 114794929
1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol
CID 82304157
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol
CID 82309039
2-piperidin-1-ium-4-ylpropan-2-yl 2-hydroxy-3-methoxybenzoate
CID 167315424

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol?
The IUPAC name of 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol (CID 118899137) is 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol?
The canonical SMILES for 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol is COc1cccc(C(C)(O)C2CC2)c1O.
What is the InChIKey of 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol?
The InChIKey is NWKLCLQIYJKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(14,8-6-7-8)9-4-3-5-10(15-2)11(9)13/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol?
2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol has a molecular weight of 208.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol is sourced from PubChem (CID 118899137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).