2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid

C13H14O4 — CID 117340088

IUPAC2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC2)c(C=O)c1
InChIInChI=1S/C13H14O4/c1-17-10-2-3-11(9(6-10)8-14)13(4-5-13)7-12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyLQMZLWDXICRRIV-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.01
Rot. Bonds5

About 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid

2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid (PubChem CID 117340088) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
PubChem CID117340088
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC2)c(C=O)c1
InChIInChI=1S/C13H14O4/c1-17-10-2-3-11(9(6-10)8-14)13(4-5-13)7-12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyLQMZLWDXICRRIV-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389898
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-[1-(4-methoxyphenoxy)cyclobutyl]acetic acid
CID 103272392

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid (CID 117340088) is 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid is COc1ccc(C2(CC(=O)O)CC2)c(C=O)c1.
What is the InChIKey of 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is LQMZLWDXICRRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-17-10-2-3-11(9(6-10)8-14)13(4-5-13)7-12(15)16/h2-3,6,8H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid?
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117340088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).