2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid

C13H10O3 — CID 517151

IUPAC2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)C1=CC=CC1
InChIInChI=1S/C13H10O3/c14-12(9-5-1-2-6-9)10-7-3-4-8-11(10)13(15)16/h1-5,7-8H,6H2,(H,15,16)
InChIKeyMGXVIMSEFKDGBP-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.45
Rot. Bonds3

About 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid

2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid (PubChem CID 517151) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
PubChem CID517151
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)C1=CC=CC1
InChIInChI=1S/C13H10O3/c14-12(9-5-1-2-6-9)10-7-3-4-8-11(10)13(15)16/h1-5,7-8H,6H2,(H,15,16)
InChIKeyMGXVIMSEFKDGBP-UHFFFAOYSA-N
XLogP2.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
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potassium;sodium;phthalic acid;dihydroxide
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hydron;phthalic acid
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CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
CID 174469049
CID 174469049
dichloropalladium;phthalic acid
CID 174947627
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
barium(2+);hydride;phthalic acid
CID 173000011
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid?
The IUPAC name of 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid (CID 517151) is 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)C1=CC=CC1.
What is the InChIKey of 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid?
The InChIKey is MGXVIMSEFKDGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-12(9-5-1-2-6-9)10-7-3-4-8-11(10)13(15)16/h1-5,7-8H,6H2,(H,15,16).
What are the key properties of 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid?
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid has a molecular weight of 214.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid is sourced from PubChem (CID 517151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).