(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol

C15H14Cl2O — CID 42135569

IUPAC(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
SMILESOC[C@@H](Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2O/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17/h1-8,12,18H,9-10H2/t12-/m1/s1
InChIKeyHWVBOIJOPHCLOP-GFCCVEGCSA-N
MW281.18 g/mol
LogP4.31
Rot. Bonds4

About (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol

(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol (PubChem CID 42135569) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
PubChem CID42135569
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
SMILESOC[C@@H](Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2O/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17/h1-8,12,18H,9-10H2/t12-/m1/s1
InChIKeyHWVBOIJOPHCLOP-GFCCVEGCSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 79454130
3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 79454053
1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene
CID 79454557
2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001
3-(3,4-dichlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79421828
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol (CID 42135569) is (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol is OC[C@@H](Cc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol?
The InChIKey is HWVBOIJOPHCLOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14Cl2O/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17/h1-8,12,18H,9-10H2/t12-/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol?
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol has a molecular weight of 281.18 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 42135569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).