2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid

C15H19FO3 — CID 83944113

IUPAC2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(F)cc1C(C)CC1CC1C(=O)O
InChIInChI=1S/C15H19FO3/c1-3-19-14-5-4-11(16)8-12(14)9(2)6-10-7-13(10)15(17)18/h4-5,8-10,13H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyGRLZVVJQAGTSDH-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.44
Rot. Bonds6

About 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid

2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid (PubChem CID 83944113) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
PubChem CID83944113
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(F)cc1C(C)CC1CC1C(=O)O
InChIInChI=1S/C15H19FO3/c1-3-19-14-5-4-11(16)8-12(14)9(2)6-10-7-13(10)15(17)18/h4-5,8-10,13H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyGRLZVVJQAGTSDH-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-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

2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83936147
2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83922808
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83941287
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
CID 83942402
2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
CID 134618705
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171868483
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 83921264
2-[2-[2-methoxy-5-(trifluoromethyl)phenyl]butyl]cyclopropane-1-carboxylic acid
CID 83921148
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
(1S,6S)-6-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184974
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid (CID 83944113) is 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid is CCOc1ccc(F)cc1C(C)CC1CC1C(=O)O.
What is the InChIKey of 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid?
The InChIKey is GRLZVVJQAGTSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-3-19-14-5-4-11(16)8-12(14)9(2)6-10-7-13(10)15(17)18/h4-5,8-10,13H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid?
2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid has a molecular weight of 266.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83944113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).