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

C11H10O4 — CID 117294459

IUPAC1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=Cc1ccc(O)cc1C1(C(=O)O)CC1
InChIInChI=1S/C11H10O4/c12-6-7-1-2-8(13)5-9(7)11(3-4-11)10(14)15/h1-2,5-6,13H,3-4H2,(H,14,15)
InChIKeyKOOIPVYPNNEKPU-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.32
Rot. Bonds3

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

1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117294459) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117294459
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=Cc1ccc(O)cc1C1(C(=O)O)CC1
InChIInChI=1S/C11H10O4/c12-6-7-1-2-8(13)5-9(7)11(3-4-11)10(14)15/h1-2,5-6,13H,3-4H2,(H,14,15)
InChIKeyKOOIPVYPNNEKPU-UHFFFAOYSA-N
XLogP1.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid (CID 117294459) is 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid is O=Cc1ccc(O)cc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is KOOIPVYPNNEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-6-7-1-2-8(13)5-9(7)11(3-4-11)10(14)15/h1-2,5-6,13H,3-4H2,(H,14,15).
What are the key properties of 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117294459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).