1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid

C12H14O3 — CID 66025511

IUPAC1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCOc2ccccc2)CC1
InChIInChI=1S/C12H14O3/c13-11(14)12(6-7-12)8-9-15-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChIKeyIZISHCHNFRILMV-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.32
Rot. Bonds5

About 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid

1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid (PubChem CID 66025511) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
PubChem CID66025511
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCOc2ccccc2)CC1
InChIInChI=1S/C12H14O3/c13-11(14)12(6-7-12)8-9-15-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChIKeyIZISHCHNFRILMV-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
CID 65393665
1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82086841
1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82087901
(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 95556205
1-[(2-bromophenoxy)methyl]cyclopropane-1-carboxylic acid
CID 84712843
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
1-(4-aminopyrimidin-2-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 56872755
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
1-[[3-(3-bromophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450040

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid (CID 66025511) is 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid?
The InChIKey is IZISHCHNFRILMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(14)12(6-7-12)8-9-15-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14).
What are the key properties of 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid?
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66025511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).