1-cyclobutyl-2-(3-methoxyphenyl)ethanol

C13H18O2 — CID 63017891

IUPAC1-cyclobutyl-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)C2CCC2)c1
InChIInChI=1S/C13H18O2/c1-15-12-7-2-4-10(8-12)9-13(14)11-5-3-6-11/h2,4,7-8,11,13-14H,3,5-6,9H2,1H3
InChIKeyRUYCRTUXRBDWOX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.40
Rot. Bonds4

About 1-cyclobutyl-2-(3-methoxyphenyl)ethanol

1-cyclobutyl-2-(3-methoxyphenyl)ethanol (PubChem CID 63017891) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-2-(3-methoxyphenyl)ethanol
PubChem CID63017891
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-cyclobutyl-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)C2CCC2)c1
InChIInChI=1S/C13H18O2/c1-15-12-7-2-4-10(8-12)9-13(14)11-5-3-6-11/h2,4,7-8,11,13-14H,3,5-6,9H2,1H3
InChIKeyRUYCRTUXRBDWOX-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 113299385
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-cyclobutyl-2-(3-methoxyphenyl)ethanol (CID 63017891) is 1-cyclobutyl-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-cyclobutyl-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-cyclobutyl-2-(3-methoxyphenyl)ethanol is COc1cccc(CC(O)C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-2-(3-methoxyphenyl)ethanol?
The InChIKey is RUYCRTUXRBDWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-12-7-2-4-10(8-12)9-13(14)11-5-3-6-11/h2,4,7-8,11,13-14H,3,5-6,9H2,1H3.
What are the key properties of 1-cyclobutyl-2-(3-methoxyphenyl)ethanol?
1-cyclobutyl-2-(3-methoxyphenyl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 63017891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).