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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Related Compounds

methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 3-[3-(benzhydrylideneamino)-2-cyclopropylphenyl]propanoate
CID 153319391
methyl 2-(4-bromo-2-cyclopropyl-3-fluorophenyl)acetate
CID 167079672
methyl 4-(2-fluoro-3,4-dimethoxyphenyl)butanoate
CID 58147667
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
methyl 2-(4-chloro-2-cyclopropylphenyl)acetate
CID 174254257
methyl 3-[3-[2-[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]ethyl]phenyl]propanoate
CID 134465797
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
3-[1-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanoic acid
CID 74244025
methyl 3-(3-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propanoate
CID 170986401

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).