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

C17H14O4 — CID 50993749

IUPAC4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one
SMILESO=C1OCC(Cc2ccc(O)cc2)=C1c1ccc(O)cc1
InChIInChI=1S/C17H14O4/c18-14-5-1-11(2-6-14)9-13-10-21-17(20)16(13)12-3-7-15(19)8-4-12/h1-8,18-19H,9-10H2
InChIKeyULAOSFXVLZDDJW-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.65
Rot. Bonds3

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

4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one (PubChem CID 50993749) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one
PubChem CID50993749
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one
SMILESO=C1OCC(Cc2ccc(O)cc2)=C1c1ccc(O)cc1
InChIInChI=1S/C17H14O4/c18-14-5-1-11(2-6-14)9-13-10-21-17(20)16(13)12-3-7-15(19)8-4-12/h1-8,18-19H,9-10H2
InChIKeyULAOSFXVLZDDJW-UHFFFAOYSA-N
XLogP2.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one?
The IUPAC name of 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one (CID 50993749) is 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one is O=C1OCC(Cc2ccc(O)cc2)=C1c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one?
The InChIKey is ULAOSFXVLZDDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-14-5-1-11(2-6-14)9-13-10-21-17(20)16(13)12-3-7-15(19)8-4-12/h1-8,18-19H,9-10H2.
What are the key properties of 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one?
4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one has a molecular weight of 282.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2H-furan-5-one is sourced from PubChem (CID 50993749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).