(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone

C16H14Cl2O3 — CID 106860870

IUPAC(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)cc2Cl)c(OC)c1Cl
InChIInChI=1S/C16H14Cl2O3/c1-9-4-5-10(12(17)8-9)15(19)11-6-7-13(20-2)14(18)16(11)21-3/h4-8H,1-3H3
InChIKeyRTBDJIWPZWAFTM-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.55
Rot. Bonds4

About (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone

(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone (PubChem CID 106860870) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
PubChem CID106860870
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)cc2Cl)c(OC)c1Cl
InChIInChI=1S/C16H14Cl2O3/c1-9-4-5-10(12(17)8-9)15(19)11-6-7-13(20-2)14(18)16(11)21-3/h4-8H,1-3H3
InChIKeyRTBDJIWPZWAFTM-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone
CID 107987239
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107201476
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone?
The IUPAC name of (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone (CID 106860870) is (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone?
The canonical SMILES for (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(C)cc2Cl)c(OC)c1Cl.
What is the InChIKey of (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone?
The InChIKey is RTBDJIWPZWAFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-9-4-5-10(12(17)8-9)15(19)11-6-7-13(20-2)14(18)16(11)21-3/h4-8H,1-3H3.
What are the key properties of (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone?
(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone has a molecular weight of 325.19 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 106860870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).