1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid

C12H12O4 — CID 117313804

IUPAC1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC2)c(C=O)c1
InChIInChI=1S/C12H12O4/c1-16-9-2-3-10(8(6-9)7-13)12(4-5-12)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyXUFMCPOOSNRAOS-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117313804) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117313804
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CC2)c(C=O)c1
InChIInChI=1S/C12H12O4/c1-16-9-2-3-10(8(6-9)7-13)12(4-5-12)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyXUFMCPOOSNRAOS-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088
1-(2-formyl-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117310769
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117292393
1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117465530
1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117294459
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
CID 117282260
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428766
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
3-(2-chloro-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116871779

Frequently Asked Questions

What is the IUPAC name of 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 117313804) is 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CC2)c(C=O)c1.
What is the InChIKey of 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XUFMCPOOSNRAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-16-9-2-3-10(8(6-9)7-13)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-4-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117313804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).