5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid

C19H15ClO3 — CID 15391089

IUPAC5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=CCCC1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClO3/c20-15-10-8-13(9-11-15)12-4-6-14(7-5-12)18(21)16-2-1-3-17(16)19(22)23/h3-11,16H,1-2H2,(H,22,23)
InChIKeySGFFOJWHVXRTKD-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.61
Rot. Bonds4

About 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid

5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid (PubChem CID 15391089) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid
PubChem CID15391089
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=CCCC1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClO3/c20-15-10-8-13(9-11-15)12-4-6-14(7-5-12)18(21)16-2-1-3-17(16)19(22)23/h3-11,16H,1-2H2,(H,22,23)
InChIKeySGFFOJWHVXRTKD-UHFFFAOYSA-N
XLogP4.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid (CID 15391089) is 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=CCCC1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid?
The InChIKey is SGFFOJWHVXRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c20-15-10-8-13(9-11-15)12-4-6-14(7-5-12)18(21)16-2-1-3-17(16)19(22)23/h3-11,16H,1-2H2,(H,22,23).
What are the key properties of 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid?
5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 15391089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).