2-(4-methylphenyl)-3-phenyl-2H-furan-5-one

C17H14O2 — CID 3745560

IUPAC2-(4-methylphenyl)-3-phenyl-2H-furan-5-one
SMILESCc1ccc(C2OC(=O)C=C2c2ccccc2)cc1
InChIInChI=1S/C17H14O2/c1-12-7-9-14(10-8-12)17-15(11-16(18)19-17)13-5-3-2-4-6-13/h2-11,17H,1H3
InChIKeyGQUCWIRGHQQDML-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one

2-(4-methylphenyl)-3-phenyl-2H-furan-5-one (PubChem CID 3745560) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenyl-2H-furan-5-one
PubChem CID3745560
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2-(4-methylphenyl)-3-phenyl-2H-furan-5-one
SMILESCc1ccc(C2OC(=O)C=C2c2ccccc2)cc1
InChIInChI=1S/C17H14O2/c1-12-7-9-14(10-8-12)17-15(11-16(18)19-17)13-5-3-2-4-6-13/h2-11,17H,1H3
InChIKeyGQUCWIRGHQQDML-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one?
The IUPAC name of 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one (CID 3745560) is 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one?
The canonical SMILES for 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one is Cc1ccc(C2OC(=O)C=C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one?
The InChIKey is GQUCWIRGHQQDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-12-7-9-14(10-8-12)17-15(11-16(18)19-17)13-5-3-2-4-6-13/h2-11,17H,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one?
2-(4-methylphenyl)-3-phenyl-2H-furan-5-one has a molecular weight of 250.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 3745560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).