5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one

Name: 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₂O₄ — CID 10125347

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one

SMILESCC1=C(c2ccc(O)cc2)C(=O)c2cc(O)c(O)cc21

InChIInChI=1S/C16H12O4/c1-8-11-6-13(18)14(19)7-12(11)16(20)15(8)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3

InChIKeyPSZHUGKQNKNTLS-UHFFFAOYSA-N

MW268.27 g/mol

LogP2.93

Rot. Bonds1

About 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one

5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one (PubChem CID 10125347) has the molecular formula C₁₆H₁₂O₄ and a molecular weight of 268.27 g/mol. Its IUPAC name is 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one.

Molecular Properties

Compound Name	5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one
PubChem CID	10125347
Molecular Formula	C₁₆H₁₂O₄
Molecular Weight	268.27 g/mol
Exact Mass	268.07
IUPAC Name	5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one
SMILES	CC1=C(c2ccc(O)cc2)C(=O)c2cc(O)c(O)cc21
InChI	InChI=1S/C16H12O4/c1-8-11-6-13(18)14(19)7-12(11)16(20)15(8)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3
InChIKey	PSZHUGKQNKNTLS-UHFFFAOYSA-N
XLogP	2.93
TPSA	77.76 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.27
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?

The IUPAC name of 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one (CID 10125347) is 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one.

What is the SMILES notation for 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?

The canonical SMILES for 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one is CC1=C(c2ccc(O)cc2)C(=O)c2cc(O)c(O)cc21.

What is the InChIKey of 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?

The InChIKey is PSZHUGKQNKNTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-8-11-6-13(18)14(19)7-12(11)16(20)15(8)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3.

What are the key properties of 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one?

5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one has a molecular weight of 268.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methylinden-1-one is sourced from PubChem (CID 10125347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 10125347 — identifiers, structure, computed properties (public domain)

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