1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol

C19H22O2 — CID 114601094

IUPAC1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2cccc(C3CCC3)c2)c1
InChIInChI=1S/C19H22O2/c1-19(20,17-10-5-11-18(13-17)21-2)16-9-4-8-15(12-16)14-6-3-7-14/h4-5,8-14,20H,3,6-7H2,1-2H3
InChIKeyQTJIJQSUYFEUOC-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.22
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol

1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol (PubChem CID 114601094) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
PubChem CID114601094
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2cccc(C3CCC3)c2)c1
InChIInChI=1S/C19H22O2/c1-19(20,17-10-5-11-18(13-17)21-2)16-9-4-8-15(12-16)14-6-3-7-14/h4-5,8-14,20H,3,6-7H2,1-2H3
InChIKeyQTJIJQSUYFEUOC-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-1-(4-methylphenyl)ethanol
CID 114601068
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
1-(3-cyclobutylphenyl)-1-(2-methylphenyl)ethanol
CID 114601070
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol (CID 114601094) is 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(C)(O)c2cccc(C3CCC3)c2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is QTJIJQSUYFEUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-19(20,17-10-5-11-18(13-17)21-2)16-9-4-8-15(12-16)14-6-3-7-14/h4-5,8-14,20H,3,6-7H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol?
1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol has a molecular weight of 282.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 114601094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).