4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one

C17H14O3 — CID 102201934

IUPAC4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1C(O)c1ccccc1
InChIInChI=1S/C17H14O3/c18-16(13-9-5-2-6-10-13)15-14(11-20-17(15)19)12-7-3-1-4-8-12/h1-10,16,18H,11H2
InChIKeyMIYFJCIRAHGELB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.73
Rot. Bonds3

About 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one

4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one (PubChem CID 102201934) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one
PubChem CID102201934
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1C(O)c1ccccc1
InChIInChI=1S/C17H14O3/c18-16(13-9-5-2-6-10-13)15-14(11-20-17(15)19)12-7-3-1-4-8-12/h1-10,16,18H,11H2
InChIKeyMIYFJCIRAHGELB-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one?
The IUPAC name of 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one (CID 102201934) is 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one is O=C1OCC(c2ccccc2)=C1C(O)c1ccccc1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one?
The InChIKey is MIYFJCIRAHGELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-16(13-9-5-2-6-10-13)15-14(11-20-17(15)19)12-7-3-1-4-8-12/h1-10,16,18H,11H2.
What are the key properties of 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one?
4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one has a molecular weight of 266.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 102201934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).