(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one

C15H12Cl2O2 — CID 891501

IUPAC(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
SMILESC[C@H](Oc1ccccc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O2/c1-10(19-14-5-3-2-4-13(14)17)15(18)11-6-8-12(16)9-7-11/h2-10H,1H3/t10-/m0/s1
InChIKeyNYHXJINZQUKDEB-JTQLQIEISA-N
MW295.17 g/mol
LogP4.64
Rot. Bonds4

About (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one

(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one (PubChem CID 891501) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
PubChem CID891501
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
SMILESC[C@H](Oc1ccccc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O2/c1-10(19-14-5-3-2-4-13(14)17)15(18)11-6-8-12(16)9-7-11/h2-10H,1H3/t10-/m0/s1
InChIKeyNYHXJINZQUKDEB-JTQLQIEISA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one 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

2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
CID 4833725
2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
3-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzaldehyde
CID 62033107
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60625931
2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60626516
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one (CID 891501) is (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one is C[C@H](Oc1ccccc1Cl)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is NYHXJINZQUKDEB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-10(19-14-5-3-2-4-13(14)17)15(18)11-6-8-12(16)9-7-11/h2-10H,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one?
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 295.17 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 891501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).