(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone

C15H12Cl2O3 — CID 43161713

IUPAC(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-13-6-4-10(16)8-11(13)15(18)9-3-5-14(20-2)12(17)7-9/h3-8H,1-2H3
InChIKeySCJJIWDOYVTUHU-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.24
Rot. Bonds4

About (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone

(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 43161713) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID43161713
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-13-6-4-10(16)8-11(13)15(18)9-3-5-14(20-2)12(17)7-9/h3-8H,1-2H3
InChIKeySCJJIWDOYVTUHU-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
CID 105094111
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone (CID 43161713) is (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is SCJJIWDOYVTUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-13-6-4-10(16)8-11(13)15(18)9-3-5-14(20-2)12(17)7-9/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone?
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 311.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 43161713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).