(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol

C15H14Cl2O — CID 102297952

IUPAC(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
SMILESOCC[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2O/c16-14-7-6-12(10-15(14)17)13(8-9-18)11-4-2-1-3-5-11/h1-7,10,13,18H,8-9H2/t13-/m0/s1
InChIKeyWEZNODMVEZOPAB-ZDUSSCGKSA-N
MW281.18 g/mol
LogP4.51
Rot. Bonds4

About (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol

(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol (PubChem CID 102297952) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
PubChem CID102297952
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
SMILESOCC[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2O/c16-14-7-6-12(10-15(14)17)13(8-9-18)11-4-2-1-3-5-11/h1-7,10,13,18H,8-9H2/t13-/m0/s1
InChIKeyWEZNODMVEZOPAB-ZDUSSCGKSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-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

(3S,4S)-4-(3,4-dichlorophenyl)-4-phenylbutane-1,3-diol
CID 134968747
(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 11833125
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol
CID 67925877
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
5-(3-chloro-4-ethynylphenyl)-5-phenylpentan-1-ol
CID 143166017
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
CID 82366996
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol?
The IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol (CID 102297952) is (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol is OCC[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol?
The InChIKey is WEZNODMVEZOPAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14Cl2O/c16-14-7-6-12(10-15(14)17)13(8-9-18)11-4-2-1-3-5-11/h1-7,10,13,18H,8-9H2/t13-/m0/s1.
What are the key properties of (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol?
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol has a molecular weight of 281.18 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 102297952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).