6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one

C21H14O3 — CID 10171898

IUPAC6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
SMILESO=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C21H14O3/c22-15-8-6-14(7-9-15)20-19(13-4-2-1-3-5-13)17-11-10-16(23)12-18(17)21(20)24/h1-12,22-23H
InChIKeyVLWGJOKKTBWWGO-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.25
Rot. Bonds2

About 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one

6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one (PubChem CID 10171898) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one.

Molecular Properties

Compound Name6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
PubChem CID10171898
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
SMILESO=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2ccc(O)cc21
InChIInChI=1S/C21H14O3/c22-15-8-6-14(7-9-15)20-19(13-4-2-1-3-5-13)17-11-10-16(23)12-18(17)21(20)24/h1-12,22-23H
InChIKeyVLWGJOKKTBWWGO-UHFFFAOYSA-N
XLogP4.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
The IUPAC name of 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one (CID 10171898) is 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one.
What is the SMILES notation for 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
The canonical SMILES for 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one is O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
The InChIKey is VLWGJOKKTBWWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-15-8-6-14(7-9-15)20-19(13-4-2-1-3-5-13)17-11-10-16(23)12-18(17)21(20)24/h1-12,22-23H.
What are the key properties of 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one has a molecular weight of 314.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one is sourced from PubChem (CID 10171898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).