1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol

C19H22O2 — CID 114602177

IUPAC1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(C3CCC3)c2)cc1
InChIInChI=1S/C19H22O2/c1-21-18-10-8-14(9-11-18)12-19(20)17-7-3-6-16(13-17)15-4-2-5-15/h3,6-11,13,15,19-20H,2,4-5,12H2,1H3
InChIKeyIXHIOAQEKUOLOV-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.24
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol

1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol (PubChem CID 114602177) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
PubChem CID114602177
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(C3CCC3)c2)cc1
InChIInChI=1S/C19H22O2/c1-21-18-10-8-14(9-11-18)12-19(20)17-7-3-6-16(13-17)15-4-2-5-15/h3,6-11,13,15,19-20H,2,4-5,12H2,1H3
InChIKeyIXHIOAQEKUOLOV-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 114602227
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
1-(3-cyclobutylphenyl)-2-(2-methylphenyl)ethanol
CID 114602192
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
CID 79980080
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol (CID 114602177) is 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2cccc(C3CCC3)c2)cc1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol?
The InChIKey is IXHIOAQEKUOLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-21-18-10-8-14(9-11-18)12-19(20)17-7-3-6-16(13-17)15-4-2-5-15/h3,6-11,13,15,19-20H,2,4-5,12H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol?
1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol has a molecular weight of 282.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 114602177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).