(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone

C14H12Cl2O2 — CID 65151835

IUPAC(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C14H12Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-6H,1-3H3
InChIKeyRPGLTQFXICWRBE-UHFFFAOYSA-N
MW283.15 g/mol
LogP4.74
Rot. Bonds2

About (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone

(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65151835) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65151835
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C14H12Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-6H,1-3H3
InChIKeyRPGLTQFXICWRBE-UHFFFAOYSA-N
XLogP4.74
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 105396746
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(5-bromo-4-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80531550
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803
(2,4-dichlorophenyl)-(5-methylcyclopenta[c]pyran-6-yl)methanone
CID 91555081
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151683
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 107291275

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 65151835) is (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is RPGLTQFXICWRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-6H,1-3H3.
What are the key properties of (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 283.15 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65151835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).