2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one

C17H14O3 — CID 135029124

IUPAC2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one
SMILESCc1ccc(C2(O)OC(c3ccccc3)=CC2=O)cc1
InChIInChI=1S/C17H14O3/c1-12-7-9-14(10-8-12)17(19)16(18)11-15(20-17)13-5-3-2-4-6-13/h2-11,19H,1H3
InChIKeyCOSJNSGXJULGOG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.78
Rot. Bonds2

About 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one

2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one (PubChem CID 135029124) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one.

Molecular Properties

Compound Name2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one
PubChem CID135029124
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one
SMILESCc1ccc(C2(O)OC(c3ccccc3)=CC2=O)cc1
InChIInChI=1S/C17H14O3/c1-12-7-9-14(10-8-12)17(19)16(18)11-15(20-17)13-5-3-2-4-6-13/h2-11,19H,1H3
InChIKeyCOSJNSGXJULGOG-UHFFFAOYSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-methylsulfanyl-5-phenylfuran-3-one
CID 14533324
(2S)-2-(bromomethyl)-6-(4-methylphenyl)-2-phenyl-1,3-dioxin-4-one
CID 7019400
5-(4-methylphenyl)-3,5-diphenylfuran-2-one
CID 12559993
2-hydroxy-2-(2-oxo-2-phenyl-1-trimethylsilylethyl)-5-phenylfuran-3-one
CID 3116079
methyl (2S)-2-(4-methylphenyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135063303
(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one
CID 92857426
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
CID 70113074
5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
CID 15647321
4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one
CID 54370153
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one?
The IUPAC name of 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one (CID 135029124) is 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one.
What is the SMILES notation for 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one?
The canonical SMILES for 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one is Cc1ccc(C2(O)OC(c3ccccc3)=CC2=O)cc1.
What is the InChIKey of 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one?
The InChIKey is COSJNSGXJULGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12-7-9-14(10-8-12)17(19)16(18)11-15(20-17)13-5-3-2-4-6-13/h2-11,19H,1H3.
What are the key properties of 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one?
2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one has a molecular weight of 266.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one is sourced from PubChem (CID 135029124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).