2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid

C19H16O3 — CID 13082566

IUPAC2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C19H16O3/c20-18(15-3-1-2-4-16(15)19(21)22)13-7-8-14-11-5-6-12(9-11)17(14)10-13/h1-4,7-8,10-12H,5-6,9H2,(H,21,22)
InChIKeyCBOKIGKMDGLCJO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.98
Rot. Bonds3

About 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid

2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid (PubChem CID 13082566) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid
PubChem CID13082566
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C19H16O3/c20-18(15-3-1-2-4-16(15)19(21)22)13-7-8-14-11-5-6-12(9-11)17(14)10-13/h1-4,7-8,10-12H,5-6,9H2,(H,21,22)
InChIKeyCBOKIGKMDGLCJO-UHFFFAOYSA-N
XLogP3.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
2-(3-methylbenzoyl)benzoic acid
CID 2801746
2-(fluoranthene-8-carbonyl)benzoic acid
CID 3512795
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
2-[4-(trihydroxy-λ4-sulfanyl)benzoyl]benzoic acid
CID 59081839
2-(7-bromo-9-methyl-9H-fluorene-2-carbonyl)benzoic acid;ethane
CID 142970493
3-cyclopentylphthalic acid;phthalic acid
CID 70581040
2-(3-bromocyclopentyl)benzoic acid
CID 151009009
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046

Frequently Asked Questions

What is the IUPAC name of 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid?
The IUPAC name of 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid (CID 13082566) is 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid.
What is the SMILES notation for 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid?
The canonical SMILES for 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc2c(c1)C1CCC2C1.
What is the InChIKey of 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid?
The InChIKey is CBOKIGKMDGLCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-18(15-3-1-2-4-16(15)19(21)22)13-7-8-14-11-5-6-12(9-11)17(14)10-13/h1-4,7-8,10-12H,5-6,9H2,(H,21,22).
What are the key properties of 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid?
2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid is sourced from PubChem (CID 13082566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).