3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one

C17H14O4 — CID 67894059

IUPAC3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
SMILESO=C1OCC(O)=C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H14O4/c18-15-11-21-17(19)16(15)13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyLPCDETHBBFQOLP-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.09
Rot. Bonds4

About 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one

3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one (PubChem CID 67894059) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
PubChem CID67894059
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
SMILESO=C1OCC(O)=C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H14O4/c18-15-11-21-17(19)16(15)13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyLPCDETHBBFQOLP-UHFFFAOYSA-N
XLogP3.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one (CID 67894059) is 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one is O=C1OCC(O)=C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one?
The InChIKey is LPCDETHBBFQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-15-11-21-17(19)16(15)13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9,18H,10-11H2.
What are the key properties of 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one?
3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one has a molecular weight of 282.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 67894059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).