1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one

C16H14Cl2O2 — CID 62620945

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
SMILESCOc1ccc(Cl)cc1CC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-20-16-6-5-14(18)9-12(16)10-15(19)8-11-3-2-4-13(17)7-11/h2-7,9H,8,10H2,1H3
InChIKeyZXWYQIAHTRGCJN-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.36
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one

1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one (PubChem CID 62620945) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
PubChem CID62620945
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
SMILESCOc1ccc(Cl)cc1CC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-20-16-6-5-14(18)9-12(16)10-15(19)8-11-3-2-4-13(17)7-11/h2-7,9H,8,10H2,1H3
InChIKeyZXWYQIAHTRGCJN-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diaminophenyl)propan-2-one
CID 165039286
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
methyl 4-[3-(5-chloro-2-methoxyphenyl)-2-oxopropyl]pyridine-2-carboxylate
CID 164963811
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
1-(5-chloro-2-methoxyphenyl)-4,4,4-trifluorobutan-2-one
CID 62620064
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
1-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66086002
1-(5-chloro-2-methoxyphenyl)undecan-2-one
CID 114968573
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
1-(2-tert-butyl-3H-benzimidazol-5-yl)-3-(5-chloro-2-methoxyphenyl)propan-2-one
CID 165029394

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one (CID 62620945) is 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one is COc1ccc(Cl)cc1CC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one?
The InChIKey is ZXWYQIAHTRGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-20-16-6-5-14(18)9-12(16)10-15(19)8-11-3-2-4-13(17)7-11/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one?
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one has a molecular weight of 309.19 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one is sourced from PubChem (CID 62620945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).