(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone

C15H12Cl2O2 — CID 55196391

IUPAC(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-9-3-4-10(7-13(9)16)15(18)12-6-5-11(19-2)8-14(12)17/h3-8H,1-2H3
InChIKeySPHIIBWTFVAGLS-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.54
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone

(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 55196391) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
PubChem CID55196391
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-9-3-4-10(7-13(9)16)15(18)12-6-5-11(19-2)8-14(12)17/h3-8H,1-2H3
InChIKeySPHIIBWTFVAGLS-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 12585195
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
CID 43561630
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone (CID 55196391) is (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(C)c(Cl)c2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is SPHIIBWTFVAGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-9-3-4-10(7-13(9)16)15(18)12-6-5-11(19-2)8-14(12)17/h3-8H,1-2H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone?
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone has a molecular weight of 295.17 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 55196391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).