(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone

C18H13ClO2 — CID 10827816

IUPAC(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone
SMILESCc1oc(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClO2/c1-12-16(18(20)14-7-9-15(19)10-8-14)11-17(21-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyKOUYXIANIWPDMY-UHFFFAOYSA-N
MW296.75 g/mol
LogP5.14
Rot. Bonds3

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

(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone (PubChem CID 10827816) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone
PubChem CID10827816
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone
SMILESCc1oc(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClO2/c1-12-16(18(20)14-7-9-15(19)10-8-14)11-17(21-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyKOUYXIANIWPDMY-UHFFFAOYSA-N
XLogP5.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.75
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453
2-methyl-5-(4-methylphenyl)furan-3-carboxylic acid
CID 2794742
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16651382
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone (CID 10827816) is (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone is Cc1oc(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone?
The InChIKey is KOUYXIANIWPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c1-12-16(18(20)14-7-9-15(19)10-8-14)11-17(21-12)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone?
(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone has a molecular weight of 296.75 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone is sourced from PubChem (CID 10827816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).