(2-hydroxyphenyl) cyclopropanecarboxylate

C10H10O3 — CID 91694694

IUPAC(2-hydroxyphenyl) cyclopropanecarboxylate
SMILESO=C(Oc1ccccc1O)C1CC1
InChIInChI=1S/C10H10O3/c11-8-3-1-2-4-9(8)13-10(12)7-5-6-7/h1-4,7,11H,5-6H2
InChIKeyDGBNXXUVRXIURV-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.71
Rot. Bonds2

About (2-hydroxyphenyl) cyclopropanecarboxylate

(2-hydroxyphenyl) cyclopropanecarboxylate (PubChem CID 91694694) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2-hydroxyphenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(2-hydroxyphenyl) cyclopropanecarboxylate
PubChem CID91694694
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(2-hydroxyphenyl) cyclopropanecarboxylate
SMILESO=C(Oc1ccccc1O)C1CC1
InChIInChI=1S/C10H10O3/c11-8-3-1-2-4-9(8)13-10(12)7-5-6-7/h1-4,7,11H,5-6H2
InChIKeyDGBNXXUVRXIURV-UHFFFAOYSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-hydroxyphenyl) cyclopropanecarboxylate 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

(2-hydroxyphenyl) piperidine-4-carboxylate
CID 117125932
(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate
CID 91695251
[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate
CID 123439268
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
CID 172567319
CID 173408230
CID 173408230
[2-(thiadiazol-4-yl)phenyl] cyclopropanecarboxylate
CID 69363613
[2-(2-methyl-4-oxobutan-2-yl)phenyl] cyclopropanecarboxylate
CID 122589209
sodium 3-[2-(cyclopropanecarbonyloxy)phenyl]-3-methylbutanethioate
CID 122589250
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) cyclopropanecarboxylate?
The IUPAC name of (2-hydroxyphenyl) cyclopropanecarboxylate (CID 91694694) is (2-hydroxyphenyl) cyclopropanecarboxylate.
What is the SMILES notation for (2-hydroxyphenyl) cyclopropanecarboxylate?
The canonical SMILES for (2-hydroxyphenyl) cyclopropanecarboxylate is O=C(Oc1ccccc1O)C1CC1.
What is the InChIKey of (2-hydroxyphenyl) cyclopropanecarboxylate?
The InChIKey is DGBNXXUVRXIURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-3-1-2-4-9(8)13-10(12)7-5-6-7/h1-4,7,11H,5-6H2.
What are the key properties of (2-hydroxyphenyl) cyclopropanecarboxylate?
(2-hydroxyphenyl) cyclopropanecarboxylate has a molecular weight of 178.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) cyclopropanecarboxylate is sourced from PubChem (CID 91694694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).