(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone

C24H17ClO2 — CID 134835220

IUPAC(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone
SMILESCc1oc(-c2ccccc2)c(C(=O)c2ccccc2Cl)c1-c1ccccc1
InChIInChI=1S/C24H17ClO2/c1-16-21(17-10-4-2-5-11-17)22(23(26)19-14-8-9-15-20(19)25)24(27-16)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyYKVYGBZSCKFQMK-UHFFFAOYSA-N
MW372.85 g/mol
LogP6.81
Rot. Bonds4

About (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone

(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone (PubChem CID 134835220) has the molecular formula C24H17ClO2 and a molecular weight of 372.85 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone
PubChem CID134835220
Molecular FormulaC24H17ClO2
Molecular Weight372.85 g/mol
Exact Mass372.09
IUPAC Name(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone
SMILESCc1oc(-c2ccccc2)c(C(=O)c2ccccc2Cl)c1-c1ccccc1
InChIInChI=1S/C24H17ClO2/c1-16-21(17-10-4-2-5-11-17)22(23(26)19-14-8-9-15-20(19)25)24(27-16)18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyYKVYGBZSCKFQMK-UHFFFAOYSA-N
XLogP6.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
tert-butyl 2,5-dimethyl-4-phenylfuran-3-carboxylate
CID 13130673
3-(2-chlorobenzoyl)-2-methylazulene-1-carboxylic acid
CID 139771641
2-methyl-3-(4-methylphenyl)-4,5-diphenylfuran
CID 15024793
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
methyl 2-methyl-4-oxo-5,6-diphenylpyran-3-carboxylate
CID 164684371
ethyl 4-hydroxy-5-methyl-2-phenylfuran-3-carboxylate
CID 117059608
[4-(2,2-diphenylethenyl)-5-methyl-2-phenylfuran-3-yl]-phenylmethanone
CID 71489456
(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
CID 154119569
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
CID 132567633
(2-amino-5-methyl-4-phenylphenyl)-(2-chlorophenyl)methanone
CID 143211334

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone (CID 134835220) is (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone is Cc1oc(-c2ccccc2)c(C(=O)c2ccccc2Cl)c1-c1ccccc1.
What is the InChIKey of (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone?
The InChIKey is YKVYGBZSCKFQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClO2/c1-16-21(17-10-4-2-5-11-17)22(23(26)19-14-8-9-15-20(19)25)24(27-16)18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone?
(2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone has a molecular weight of 372.85 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-methyl-2,4-diphenylfuran-3-yl)methanone is sourced from PubChem (CID 134835220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).