(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone

C15H12Cl2O3 — CID 112694085

IUPAC(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-10-6-9(7-11(8-10)20-2)15(18)14-12(16)4-3-5-13(14)17/h3-8H,1-2H3
InChIKeyRCOSTEPOQFFWAK-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.24
Rot. Bonds4

About (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone

(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 112694085) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
PubChem CID112694085
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-19-10-6-9(7-11(8-10)20-2)15(18)14-12(16)4-3-5-13(14)17/h3-8H,1-2H3
InChIKeyRCOSTEPOQFFWAK-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

(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
2-(3,5-dimethoxybenzoyl)-3-methylbenzaldehyde
CID 140507871
3-(2-amino-3-chlorophenoxy)-5-methoxybenzamide
CID 103566422
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
CID 24723154
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
2-(3,5-dimethoxybenzoyl)cyclohexene-1-carboxylic acid
CID 146004393

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone (CID 112694085) is (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is RCOSTEPOQFFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-10-6-9(7-11(8-10)20-2)15(18)14-12(16)4-3-5-13(14)17/h3-8H,1-2H3.
What are the key properties of (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone?
(2,6-dichlorophenyl)-(3,5-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 (2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 112694085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).