2-(4-cyclopropylphenyl)-2-oxoacetic acid

C11H10O3 — CID 117281739

IUPAC2-(4-cyclopropylphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C11H10O3/c12-10(11(13)14)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,13,14)
InChIKeyHCHMQSHBIFCQRY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-cyclopropylphenyl)-2-oxoacetic acid

2-(4-cyclopropylphenyl)-2-oxoacetic acid (PubChem CID 117281739) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-oxoacetic acid
PubChem CID117281739
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-(4-cyclopropylphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C11H10O3/c12-10(11(13)14)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,13,14)
InChIKeyHCHMQSHBIFCQRY-UHFFFAOYSA-N
XLogP1.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-tert-butylcyclohexyl)phenyl]-2-oxoacetic acid
CID 117466014
2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
4-(4-carboxycyclohexyl)benzoic acid;4-(4-carboxycyclohexyl)cyclohexane-1-carboxylic acid;4-(4-carboxyphenyl)benzoic acid
CID 160674040
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
ethyl 2-[4-(4-methylcyclohexyl)phenyl]-2-oxoacetate
CID 117438595
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370
2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
CID 87555105
4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
CID 19938016

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-oxoacetic acid (CID 117281739) is 2-(4-cyclopropylphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-oxoacetic acid is O=C(O)C(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-oxoacetic acid?
The InChIKey is HCHMQSHBIFCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10(11(13)14)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,13,14).
What are the key properties of 2-(4-cyclopropylphenyl)-2-oxoacetic acid?
2-(4-cyclopropylphenyl)-2-oxoacetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117281739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).