1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol

C20H24O — CID 114602227

IUPAC1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(C3CCC3)c2)cc1C
InChIInChI=1S/C20H24O/c1-14-9-10-16(11-15(14)2)12-20(21)19-8-4-7-18(13-19)17-5-3-6-17/h4,7-11,13,17,20-21H,3,5-6,12H2,1-2H3
InChIKeyHBQUIYRFDKWDLG-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.85
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol

1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 114602227) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID114602227
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cccc(C3CCC3)c2)cc1C
InChIInChI=1S/C20H24O/c1-14-9-10-16(11-15(14)2)12-20(21)19-8-4-7-18(13-19)17-5-3-6-17/h4,7-11,13,17,20-21H,3,5-6,12H2,1-2H3
InChIKeyHBQUIYRFDKWDLG-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclobutylphenyl)-2-(2-methylphenyl)ethanol
CID 114602192
1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
CID 114602177
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
CID 115839105
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
CID 79980080
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol (CID 114602227) is 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(CC(O)c2cccc(C3CCC3)c2)cc1C.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is HBQUIYRFDKWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-14-9-10-16(11-15(14)2)12-20(21)19-8-4-7-18(13-19)17-5-3-6-17/h4,7-11,13,17,20-21H,3,5-6,12H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol?
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 280.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 114602227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).