1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone

C19H16Cl2O2 — CID 15695495

IUPAC1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H16Cl2O2/c1-12(22)18-11-19(23-13(18)2,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11H2,1-2H3
InChIKeySDGLMBCYYCHMJJ-UHFFFAOYSA-N
MW347.24 g/mol
LogP5.52
Rot. Bonds3

About 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone

1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone (PubChem CID 15695495) has the molecular formula C19H16Cl2O2 and a molecular weight of 347.24 g/mol. Its IUPAC name is 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone
PubChem CID15695495
Molecular FormulaC19H16Cl2O2
Molecular Weight347.24 g/mol
Exact Mass346.05
IUPAC Name1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H16Cl2O2/c1-12(22)18-11-19(23-13(18)2,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11H2,1-2H3
InChIKeySDGLMBCYYCHMJJ-UHFFFAOYSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.24
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Chlorophenyl)selanyl-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 122187679
2,6-Bis(4-chlorophenyl)-4H-pyran-4-one
CID 257574
2(3H)-Furanone, 3-(4-chlorobenzylidene)-5-(4-chlorophenyl)-
CID 5372529
3(2H)-Furanone, 5-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-2-oxoethylidene)-
CID 2274407
2-(4-Chlorophenyl)-5,5-dimethyl-2-phenylfuran
CID 12283018
3-(3-Chlorophenyl)selanyl-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 171355075
2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenyl-3(2H)-furanone
CID 1550412
(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one
CID 1550413
(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one
CID 5468711
2-(4-Chlorophenyl)-6-phenylpyran-4-one
CID 237444
(1E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl 4-chlorobenzoate
CID 5716623
Ethanone, 1-(4,5-dihydro-2-methyl-5,5-diphenyl-3-furanyl)-
CID 11403189

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone (CID 15695495) is 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone is CC(=O)C1=C(C)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
The InChIKey is SDGLMBCYYCHMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O2/c1-12(22)18-11-19(23-13(18)2,14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone?
1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone has a molecular weight of 347.24 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-chlorophenyl)-5-methyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 15695495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).