1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid

C12H12O3 — CID 117292393

IUPAC1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C=O)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C12H12O3/c1-8-2-3-9(7-13)10(6-8)12(4-5-12)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeySGOLLDBCTBOABK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid

1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117292393) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117292393
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C=O)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C12H12O3/c1-8-2-3-9(7-13)10(6-8)12(4-5-12)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeySGOLLDBCTBOABK-UHFFFAOYSA-N
XLogP1.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117294459
1-(2-formyl-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117310769
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966
1-(4-fluoro-2-formyl-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344418
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117311256
4-(2,5-dimethylphenyl)oxane-4-carboxylic acid
CID 82620301
1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid
CID 117463982
1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278306
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982

Frequently Asked Questions

What is the IUPAC name of 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid (CID 117292393) is 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(C=O)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is SGOLLDBCTBOABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-8-2-3-9(7-13)10(6-8)12(4-5-12)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid?
1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117292393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).