(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone

C15H12Cl2O3 — CID 114970477

IUPAC(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-11-7-4-8-12(20-2)13(11)15(18)9-5-3-6-10(16)14(9)17/h3-8H,1-2H3
InChIKeyGCYNIJCINPRWDM-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.24
Rot. Bonds4

About (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone

(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 114970477) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
PubChem CID114970477
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-11-7-4-8-12(20-2)13(11)15(18)9-5-3-6-10(16)14(9)17/h3-8H,1-2H3
InChIKeyGCYNIJCINPRWDM-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)-(2,3-dichlorophenyl)methanone
CID 86028415
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
[2-(2,3-dichlorobenzoyl)phenyl] acetate
CID 24722904
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 107311518
(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone
CID 68971573
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone (CID 114970477) is (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is GCYNIJCINPRWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-11-7-4-8-12(20-2)13(11)15(18)9-5-3-6-10(16)14(9)17/h3-8H,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone?
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)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 (2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 114970477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).