2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid

C16H10O4 — CID 138601815

IUPAC2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H10O4/c17-14-10-6-2-3-7-11(10)15(18)13(14)9-5-1-4-8-12(9)16(19)20/h1-8,17H,(H,19,20)
InChIKeyIHTHHRRLRMKVAB-UHFFFAOYSA-N
MW266.25 g/mol
LogP3.01
Rot. Bonds2

About 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid

2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid (PubChem CID 138601815) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid
PubChem CID138601815
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H10O4/c17-14-10-6-2-3-7-11(10)15(18)13(14)9-5-1-4-8-12(9)16(19)20/h1-8,17H,(H,19,20)
InChIKeyIHTHHRRLRMKVAB-UHFFFAOYSA-N
XLogP3.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

anthracene-9,10-dione;phthalic acid
CID 158904853
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
1-hydroxy-3,4-dioxonaphthalene-2-carboxylic acid;iron
CID 175246431
dilithium;hydride;phthalic acid
CID 173011412
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091
2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide
CID 138601746
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid?
The IUPAC name of 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid (CID 138601815) is 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid.
What is the SMILES notation for 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid?
The canonical SMILES for 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid is O=C(O)c1ccccc1C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid?
The InChIKey is IHTHHRRLRMKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-14-10-6-2-3-7-11(10)15(18)13(14)9-5-1-4-8-12(9)16(19)20/h1-8,17H,(H,19,20).
What are the key properties of 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid?
2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid has a molecular weight of 266.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid is sourced from PubChem (CID 138601815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).