2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid

C28H20O8 — CID 69439189

IUPAC2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid
SMILESO=C(O)c1c2c(c3ccccc3c1C(=O)O)CC2.O=C(O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/2C14H10O4/c15-13(16)11-9-4-2-1-3-7(9)8-5-6-10(8)12(11)14(17)18;15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18);1-8H,(H,15,16)(H,17,18)
InChIKeyWHFKWXXCOPBPDH-UHFFFAOYSA-N
MW484.46 g/mol
LogP5.08
Rot. Bonds5

About 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid

2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid (PubChem CID 69439189) has the molecular formula C28H20O8 and a molecular weight of 484.46 g/mol. Its IUPAC name is 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid
PubChem CID69439189
Molecular FormulaC28H20O8
Molecular Weight484.46 g/mol
Exact Mass484.12
IUPAC Name2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid
SMILESO=C(O)c1c2c(c3ccccc3c1C(=O)O)CC2.O=C(O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/2C14H10O4/c15-13(16)11-9-4-2-1-3-7(9)8-5-6-10(8)12(11)14(17)18;15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18);1-8H,(H,15,16)(H,17,18)
InChIKeyWHFKWXXCOPBPDH-UHFFFAOYSA-N
XLogP5.08
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.46
LogP ≤ 55.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
CID 67709035
tricyclo[6.2.2.02,7]dodeca-1(10),2,4,6,8-pentaene-9-carboxylic acid
CID 54255571
2-(1-aminonaphthalen-2-yl)benzoic acid
CID 21398858
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
2-(5-carboxynaphthalen-1-yl)-4-hydroxynaphthalene-1-carboxylic acid
CID 70122105
2-(2-carboxyphenyl)-6-(dichloromethyl)benzoic acid
CID 138471085
2-(8-bromonaphthalen-1-yl)benzoic acid
CID 102060939
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid?
The IUPAC name of 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid (CID 69439189) is 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid.
What is the SMILES notation for 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid?
The canonical SMILES for 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid is O=C(O)c1c2c(c3ccccc3c1C(=O)O)CC2.O=C(O)c1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid?
The InChIKey is WHFKWXXCOPBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10O4/c15-13(16)11-9-4-2-1-3-7(9)8-5-6-10(8)12(11)14(17)18;15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18);1-8H,(H,15,16)(H,17,18).
What are the key properties of 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid?
2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid has a molecular weight of 484.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenyl)benzoic acid;1,2-dihydrocyclobuta[a]naphthalene-3,4-dicarboxylic acid is sourced from PubChem (CID 69439189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).