1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol

C17H18Cl2O — CID 63410727

IUPAC1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2O/c1-2-12-3-5-13(6-4-12)9-15(20)10-14-7-8-16(18)17(19)11-14/h3-8,11,15,20H,2,9-10H2,1H3
InChIKeyOFQWQCWJEOFVAO-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.70
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol

1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol (PubChem CID 63410727) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
PubChem CID63410727
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2O/c1-2-12-3-5-13(6-4-12)9-15(20)10-14-7-8-16(18)17(19)11-14/h3-8,11,15,20H,2,9-10H2,1H3
InChIKeyOFQWQCWJEOFVAO-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol 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-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
CID 65130613
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
CID 63046678
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089799
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114103870
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol (CID 63410727) is 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol is CCc1ccc(CC(O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol?
The InChIKey is OFQWQCWJEOFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-2-12-3-5-13(6-4-12)9-15(20)10-14-7-8-16(18)17(19)11-14/h3-8,11,15,20H,2,9-10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol?
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol has a molecular weight of 309.24 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol is sourced from PubChem (CID 63410727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).