2-(fluoranthene-8-carbonyl)benzoic acid

C24H14O3 — CID 3512795

IUPAC2-(fluoranthene-8-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C24H14O3/c25-23(19-7-1-2-8-20(19)24(26)27)15-11-12-16-17-9-3-5-14-6-4-10-18(22(14)17)21(16)13-15/h1-13H,(H,26,27)
InChIKeyOSGPEGBNYNVHNO-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.42
Rot. Bonds3

About 2-(fluoranthene-8-carbonyl)benzoic acid

2-(fluoranthene-8-carbonyl)benzoic acid (PubChem CID 3512795) has the molecular formula C24H14O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(fluoranthene-8-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(fluoranthene-8-carbonyl)benzoic acid
PubChem CID3512795
Molecular FormulaC24H14O3
Molecular Weight350.37 g/mol
Exact Mass350.09
IUPAC Name2-(fluoranthene-8-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C24H14O3/c25-23(19-7-1-2-8-20(19)24(26)27)15-11-12-16-17-9-3-5-14-6-4-10-18(22(14)17)21(16)13-15/h1-13H,(H,26,27)
InChIKeyOSGPEGBNYNVHNO-UHFFFAOYSA-N
XLogP5.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(fluoranthene-8-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

2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
fluoranthene-3,8-dicarboxylic acid
CID 12521258
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
2-(3-methylbenzoyl)benzoic acid
CID 2801746
2-(tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)benzoic acid
CID 13082566
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
coronene;phthalic acid
CID 174757958
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid
CID 19788415
2-(8-bromonaphthalen-1-yl)benzoic acid
CID 102060939

Frequently Asked Questions

What is the IUPAC name of 2-(fluoranthene-8-carbonyl)benzoic acid?
The IUPAC name of 2-(fluoranthene-8-carbonyl)benzoic acid (CID 3512795) is 2-(fluoranthene-8-carbonyl)benzoic acid.
What is the SMILES notation for 2-(fluoranthene-8-carbonyl)benzoic acid?
The canonical SMILES for 2-(fluoranthene-8-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of 2-(fluoranthene-8-carbonyl)benzoic acid?
The InChIKey is OSGPEGBNYNVHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O3/c25-23(19-7-1-2-8-20(19)24(26)27)15-11-12-16-17-9-3-5-14-6-4-10-18(22(14)17)21(16)13-15/h1-13H,(H,26,27).
What are the key properties of 2-(fluoranthene-8-carbonyl)benzoic acid?
2-(fluoranthene-8-carbonyl)benzoic acid has a molecular weight of 350.37 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoranthene-8-carbonyl)benzoic acid is sourced from PubChem (CID 3512795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).