5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one

C16H12O3 — CID 10214626

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one
SMILESCC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21
InChIInChI=1S/C16H12O3/c1-9-14-8-12(18)6-7-13(14)16(19)15(9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3
InChIKeyIOAPPLGKQYAVIJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.22
Rot. Bonds1

About 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one

5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one (PubChem CID 10214626) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one
PubChem CID10214626
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one
SMILESCC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21
InChIInChI=1S/C16H12O3/c1-9-14-8-12(18)6-7-13(14)16(19)15(9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3
InChIKeyIOAPPLGKQYAVIJ-UHFFFAOYSA-N
XLogP3.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.22
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 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one (CID 10214626) is 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one is CC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?
The InChIKey is IOAPPLGKQYAVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-9-14-8-12(18)6-7-13(14)16(19)15(9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?
5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one has a molecular weight of 252.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one is sourced from PubChem (CID 10214626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).