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

C18H18Cl2O — CID 116505751

IUPAC1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H18Cl2O/c19-16-9-4-12(10-17(16)20)11-18(21)15-7-5-14(6-8-15)13-2-1-3-13/h4-10,13,18,21H,1-3,11H2
InChIKeyBWGWDLIOLFDGJG-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.54
Rot. Bonds4

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

1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 116505751) has the molecular formula C18H18Cl2O and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID116505751
Molecular FormulaC18H18Cl2O
Molecular Weight321.25 g/mol
Exact Mass320.07
IUPAC Name1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H18Cl2O/c19-16-9-4-12(10-17(16)20)11-18(21)15-7-5-14(6-8-15)13-2-1-3-13/h4-10,13,18,21H,1-3,11H2
InChIKeyBWGWDLIOLFDGJG-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
CID 79981039
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174
2-(2-amino-4-pyridinyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980090
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
CID 63529747
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol (CID 116505751) is 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is BWGWDLIOLFDGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O/c19-16-9-4-12(10-17(16)20)11-18(21)15-7-5-14(6-8-15)13-2-1-3-13/h4-10,13,18,21H,1-3,11H2.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol?
1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 321.25 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 116505751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).