2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid

C15H19FO4 — CID 83922808

IUPAC2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(F)c(C(C)CC2CC2C(=O)O)cc1OC
InChIInChI=1S/C15H19FO4/c1-8(4-9-5-11(9)15(17)18)10-6-13(19-2)14(20-3)7-12(10)16/h6-9,11H,4-5H2,1-3H3,(H,17,18)
InChIKeyHBUWPPZCWHCLRQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.06
Rot. Bonds6

About 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid

2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid (PubChem CID 83922808) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
PubChem CID83922808
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(F)c(C(C)CC2CC2C(=O)O)cc1OC
InChIInChI=1S/C15H19FO4/c1-8(4-9-5-11(9)15(17)18)10-6-13(19-2)14(20-3)7-12(10)16/h6-9,11H,4-5H2,1-3H3,(H,17,18)
InChIKeyHBUWPPZCWHCLRQ-UHFFFAOYSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83936147
2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83944113
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
2-[2-[2-methoxy-5-(trifluoromethyl)phenyl]butyl]cyclopropane-1-carboxylic acid
CID 83921148
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83941287
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
CID 83942402
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925556
2-[(3-fluoro-4-methoxyanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221253
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
1-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002189

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid (CID 83922808) is 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid is COc1cc(F)c(C(C)CC2CC2C(=O)O)cc1OC.
What is the InChIKey of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The InChIKey is HBUWPPZCWHCLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-8(4-9-5-11(9)15(17)18)10-6-13(19-2)14(20-3)7-12(10)16/h6-9,11H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid has a molecular weight of 282.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83922808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).