methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate

C14H17FO3 — CID 140666165

IUPACmethyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(F)c(OC)c1C1CC1
InChIInChI=1S/C14H17FO3/c1-17-12(16)8-6-10-5-7-11(15)14(18-2)13(10)9-3-4-9/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyRXQUAOZDAYDRPU-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.82
Rot. Bonds5

About methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate

methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate (PubChem CID 140666165) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate
PubChem CID140666165
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Namemethyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(F)c(OC)c1C1CC1
InChIInChI=1S/C14H17FO3/c1-17-12(16)8-6-10-5-7-11(15)14(18-2)13(10)9-3-4-9/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyRXQUAOZDAYDRPU-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate (CID 140666165) is methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate is COC(=O)CCc1ccc(F)c(OC)c1C1CC1.
What is the InChIKey of methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate?
The InChIKey is RXQUAOZDAYDRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-17-12(16)8-6-10-5-7-11(15)14(18-2)13(10)9-3-4-9/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate?
methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate has a molecular weight of 252.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate is sourced from PubChem (CID 140666165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).