(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone

C15H11Cl2FO3 — CID 43162222

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C15H11Cl2FO3/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7H,1-2H3
InChIKeySKJNHSKBVATOBZ-UHFFFAOYSA-N
MW329.15 g/mol
LogP4.38
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone

(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone (PubChem CID 43162222) has the molecular formula C15H11Cl2FO3 and a molecular weight of 329.15 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
PubChem CID43162222
Molecular FormulaC15H11Cl2FO3
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C15H11Cl2FO3/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7H,1-2H3
InChIKeySKJNHSKBVATOBZ-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125231
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone (CID 43162222) is (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone is COc1cc(Cl)c(C(=O)c2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone?
The InChIKey is SKJNHSKBVATOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO3/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone?
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone has a molecular weight of 329.15 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 43162222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).