4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid

C22H16O4 — CID 11551915

IUPAC4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid
SMILESO=C(O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C22H16O4/c23-17-7-5-13(6-8-17)20-12-16-11-18(24)9-10-19(16)21(20)14-1-3-15(4-2-14)22(25)26/h1-11,23-24H,12H2,(H,25,26)
InChIKeyKERRBGPWKXNBGD-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.31
Rot. Bonds3

About 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid

4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid (PubChem CID 11551915) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid
PubChem CID11551915
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid
SMILESO=C(O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C22H16O4/c23-17-7-5-13(6-8-17)20-12-16-11-18(24)9-10-19(16)21(20)14-1-3-15(4-2-14)22(25)26/h1-11,23-24H,12H2,(H,25,26)
InChIKeyKERRBGPWKXNBGD-UHFFFAOYSA-N
XLogP4.31
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenolphthalein
CID 4764
3-Hydroxy-2-naphthoic acid
CID 7104
Thymolphthalein
CID 31316
2,6-Dihydroxyanthraquinone
CID 6776
Pamoic Acid
CID 8546
2-Hydroxyanthraquinone
CID 11796
Phenolphthalin
CID 66494
6-Hydroxy-2-naphthoic acid
CID 85557
2-(4-Hydroxybenzoyl)benzoic acid
CID 6814
3,5-Dihydroxy-2-naphthoic acid
CID 66637
6-Benzoyl-2-naphthol
CID 93271
Irenolone
CID 2754650

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid?
The IUPAC name of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid (CID 11551915) is 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid?
The canonical SMILES for 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid is O=C(O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1.
What is the InChIKey of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid?
The InChIKey is KERRBGPWKXNBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c23-17-7-5-13(6-8-17)20-12-16-11-18(24)9-10-19(16)21(20)14-1-3-15(4-2-14)22(25)26/h1-11,23-24H,12H2,(H,25,26).
What are the key properties of 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid?
4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxy-2-(4-hydroxyphenyl)-3H-inden-1-yl]benzoic acid is sourced from PubChem (CID 11551915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).