4-cyclopenta-2,4-dien-1-ylbenzoic acid

C12H10O2 — CID 11985711

IUPAC4-cyclopenta-2,4-dien-1-ylbenzoic acid
SMILESO=C(O)c1ccc(C2C=CC=C2)cc1
InChIInChI=1S/C12H10O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h1-9H,(H,13,14)
InChIKeyBHERMRYHPZSRNA-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.59
Rot. Bonds2

About 4-cyclopenta-2,4-dien-1-ylbenzoic acid

4-cyclopenta-2,4-dien-1-ylbenzoic acid (PubChem CID 11985711) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-ylbenzoic acid.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-ylbenzoic acid
PubChem CID11985711
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name4-cyclopenta-2,4-dien-1-ylbenzoic acid
SMILESO=C(O)c1ccc(C2C=CC=C2)cc1
InChIInChI=1S/C12H10O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h1-9H,(H,13,14)
InChIKeyBHERMRYHPZSRNA-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-ylbenzoic acid?
The IUPAC name of 4-cyclopenta-2,4-dien-1-ylbenzoic acid (CID 11985711) is 4-cyclopenta-2,4-dien-1-ylbenzoic acid.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-ylbenzoic acid?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-ylbenzoic acid is O=C(O)c1ccc(C2C=CC=C2)cc1.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-ylbenzoic acid?
The InChIKey is BHERMRYHPZSRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h1-9H,(H,13,14).
What are the key properties of 4-cyclopenta-2,4-dien-1-ylbenzoic acid?
4-cyclopenta-2,4-dien-1-ylbenzoic acid has a molecular weight of 186.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-ylbenzoic acid is sourced from PubChem (CID 11985711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).