3-hydroxytriphenylene-2-carboxylic acid

C19H12O3 — CID 18963666

IUPAC3-hydroxytriphenylene-2-carboxylic acid
SMILESO=C(O)c1cc2c3ccccc3c3ccccc3c2cc1O
InChIInChI=1S/C19H12O3/c20-18-10-16-14-8-4-2-6-12(14)11-5-1-3-7-13(11)15(16)9-17(18)19(21)22/h1-10,20H,(H,21,22)
InChIKeyKOROQCFHMAKRQX-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.55
Rot. Bonds1

About 3-hydroxytriphenylene-2-carboxylic acid

3-hydroxytriphenylene-2-carboxylic acid (PubChem CID 18963666) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-hydroxytriphenylene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxytriphenylene-2-carboxylic acid
PubChem CID18963666
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name3-hydroxytriphenylene-2-carboxylic acid
SMILESO=C(O)c1cc2c3ccccc3c3ccccc3c2cc1O
InChIInChI=1S/C19H12O3/c20-18-10-16-14-8-4-2-6-12(14)11-5-1-3-7-13(11)15(16)9-17(18)19(21)22/h1-10,20H,(H,21,22)
InChIKeyKOROQCFHMAKRQX-UHFFFAOYSA-N
XLogP4.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxytriphenylene-2-carboxylic acid?
The IUPAC name of 3-hydroxytriphenylene-2-carboxylic acid (CID 18963666) is 3-hydroxytriphenylene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxytriphenylene-2-carboxylic acid?
The canonical SMILES for 3-hydroxytriphenylene-2-carboxylic acid is O=C(O)c1cc2c3ccccc3c3ccccc3c2cc1O.
What is the InChIKey of 3-hydroxytriphenylene-2-carboxylic acid?
The InChIKey is KOROQCFHMAKRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-18-10-16-14-8-4-2-6-12(14)11-5-1-3-7-13(11)15(16)9-17(18)19(21)22/h1-10,20H,(H,21,22).
What are the key properties of 3-hydroxytriphenylene-2-carboxylic acid?
3-hydroxytriphenylene-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 4.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytriphenylene-2-carboxylic acid is sourced from PubChem (CID 18963666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).