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

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Related Compounds

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1-(4-Methoxyphenyl)cyclopropane-1-carboxylic acid
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3-(4-Propoxyphenyl)propanoic acid
CID 2255935
2-Phenoxyphenylacetic acid
CID 141222
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CID 170898
2-(4-Ethoxyphenyl)-2-methylpropanoic acid
CID 11218028
2-(2-(2-Fluorophenoxy)phenyl)acetic acid
CID 13409348
6-(2-Propargyloxyphenyl)hexanoic acid
CID 53741002

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).