1-benzoyloxycyclopropane-1-carboxylic acid

C11H10O4 — CID 170565634

IUPAC1-benzoyloxycyclopropane-1-carboxylic acid
SMILESO=C(OC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C11H10O4/c12-9(8-4-2-1-3-5-8)15-11(6-7-11)10(13)14/h1-5H,6-7H2,(H,13,14)
InChIKeyXCPROISBGSBBTD-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.46
Rot. Bonds3

About 1-benzoyloxycyclopropane-1-carboxylic acid

1-benzoyloxycyclopropane-1-carboxylic acid (PubChem CID 170565634) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-benzoyloxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-benzoyloxycyclopropane-1-carboxylic acid
PubChem CID170565634
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name1-benzoyloxycyclopropane-1-carboxylic acid
SMILESO=C(OC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C11H10O4/c12-9(8-4-2-1-3-5-8)15-11(6-7-11)10(13)14/h1-5H,6-7H2,(H,13,14)
InChIKeyXCPROISBGSBBTD-UHFFFAOYSA-N
XLogP1.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzoyloxycyclopropane-1-carboxylic 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-carbonochloridoylcyclopentyl) benzoate
CID 125471954
(1-methylcyclopropyl) benzoate
CID 14416714
(1R,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 90704167
(4-benzoyloxydithiolan-4-yl) benzoate
CID 10291296
1-(4-benzoylphenoxy)cyclopropane-1-carboxylic acid
CID 156775993
(1-phenacylcyclopropyl) benzoate
CID 10660387
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate
CID 167697090
(3-benzoyl-1-methylpiperidin-3-yl) benzoate;hydrochloride
CID 138399166
(2,2-dibromo-1-methylcyclopropyl) benzoate
CID 134894705
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
1-adamantyl benzoate
CID 2753105

Frequently Asked Questions

What is the IUPAC name of 1-benzoyloxycyclopropane-1-carboxylic acid?
The IUPAC name of 1-benzoyloxycyclopropane-1-carboxylic acid (CID 170565634) is 1-benzoyloxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-benzoyloxycyclopropane-1-carboxylic acid?
The canonical SMILES for 1-benzoyloxycyclopropane-1-carboxylic acid is O=C(OC1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-benzoyloxycyclopropane-1-carboxylic acid?
The InChIKey is XCPROISBGSBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-9(8-4-2-1-3-5-8)15-11(6-7-11)10(13)14/h1-5H,6-7H2,(H,13,14).
What are the key properties of 1-benzoyloxycyclopropane-1-carboxylic acid?
1-benzoyloxycyclopropane-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyloxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 170565634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).