4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one

C21H14O4 — CID 10215240

IUPAC4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
SMILESO=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2c(O)cc(O)cc21
InChIInChI=1S/C21H14O4/c22-14-8-6-13(7-9-14)19-18(12-4-2-1-3-5-12)20-16(21(19)25)10-15(23)11-17(20)24/h1-11,22-24H
InChIKeyRVOVFKZJNLMQFA-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.96
Rot. Bonds2

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

4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one (PubChem CID 10215240) has the molecular formula C21H14O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one.

Molecular Properties

Compound Name4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
PubChem CID10215240
Molecular FormulaC21H14O4
Molecular Weight330.34 g/mol
Exact Mass330.09
IUPAC Name4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
SMILESO=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2c(O)cc(O)cc21
InChIInChI=1S/C21H14O4/c22-14-8-6-13(7-9-14)19-18(12-4-2-1-3-5-12)20-16(21(19)25)10-15(23)11-17(20)24/h1-11,22-24H
InChIKeyRVOVFKZJNLMQFA-UHFFFAOYSA-N
XLogP3.96
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
The IUPAC name of 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one (CID 10215240) is 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one.
What is the SMILES notation for 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
The canonical SMILES for 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one is O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2c(O)cc(O)cc21.
What is the InChIKey of 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
The InChIKey is RVOVFKZJNLMQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O4/c22-14-8-6-13(7-9-14)19-18(12-4-2-1-3-5-12)20-16(21(19)25)10-15(23)11-17(20)24/h1-11,22-24H.
What are the key properties of 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one?
4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one has a molecular weight of 330.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one is sourced from PubChem (CID 10215240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).