4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one

C12H8Cl2O3 — CID 68558180

IUPAC4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one
SMILESCC1=C(C(=O)c2ccc(Cl)c(Cl)c2)CC(=O)O1
InChIInChI=1S/C12H8Cl2O3/c1-6-8(5-11(15)17-6)12(16)7-2-3-9(13)10(14)4-7/h2-4H,5H2,1H3
InChIKeyVSLYXWZBACCDQO-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.40
Rot. Bonds2

About 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one

4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one (PubChem CID 68558180) has the molecular formula C12H8Cl2O3 and a molecular weight of 271.10 g/mol. Its IUPAC name is 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one.

Molecular Properties

Compound Name4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one
PubChem CID68558180
Molecular FormulaC12H8Cl2O3
Molecular Weight271.10 g/mol
Exact Mass269.99
IUPAC Name4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one
SMILESCC1=C(C(=O)c2ccc(Cl)c(Cl)c2)CC(=O)O1
InChIInChI=1S/C12H8Cl2O3/c1-6-8(5-11(15)17-6)12(16)7-2-3-9(13)10(14)4-7/h2-4H,5H2,1H3
InChIKeyVSLYXWZBACCDQO-UHFFFAOYSA-N
XLogP3.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
(3,4-dichlorophenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 78929568
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone
CID 126593158
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one?
The IUPAC name of 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one (CID 68558180) is 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one.
What is the SMILES notation for 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one?
The canonical SMILES for 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one is CC1=C(C(=O)c2ccc(Cl)c(Cl)c2)CC(=O)O1.
What is the InChIKey of 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one?
The InChIKey is VSLYXWZBACCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3/c1-6-8(5-11(15)17-6)12(16)7-2-3-9(13)10(14)4-7/h2-4H,5H2,1H3.
What are the key properties of 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one?
4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one has a molecular weight of 271.10 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorobenzoyl)-5-methyl-3H-furan-2-one is sourced from PubChem (CID 68558180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).