1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid

C14H16O3 — CID 117336203

IUPAC1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2OC2CC2)CCC1
InChIInChI=1S/C14H16O3/c15-13(16)14(8-3-9-14)11-4-1-2-5-12(11)17-10-6-7-10/h1-2,4-5,10H,3,6-9H2,(H,15,16)
InChIKeyGBTBNNKFKQLJLA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid

1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117336203) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117336203
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2OC2CC2)CCC1
InChIInChI=1S/C14H16O3/c15-13(16)14(8-3-9-14)11-4-1-2-5-12(11)17-10-6-7-10/h1-2,4-5,10H,3,6-9H2,(H,15,16)
InChIKeyGBTBNNKFKQLJLA-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclopropyloxyphenyl)cyclobutane-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-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-(2-cyclopentyloxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117438576
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326
1-[2-methoxy-3-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117493421
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
CID 117362898
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117495558
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid (CID 117336203) is 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccccc2OC2CC2)CCC1.
What is the InChIKey of 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is GBTBNNKFKQLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(16)14(8-3-9-14)11-4-1-2-5-12(11)17-10-6-7-10/h1-2,4-5,10H,3,6-9H2,(H,15,16).
What are the key properties of 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid?
1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117336203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).