methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate

C17H17FO3 — CID 146186663

IUPACmethyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
SMILESCOC(=O)CCc1cccc(-c2c(F)cccc2OC)c1
InChIInChI=1S/C17H17FO3/c1-20-15-8-4-7-14(18)17(15)13-6-3-5-12(11-13)9-10-16(19)21-2/h3-8,11H,9-10H2,1-2H3
InChIKeyTWNNGCJRNADYBK-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.61
Rot. Bonds5

About methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate

methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate (PubChem CID 146186663) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
PubChem CID146186663
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Namemethyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
SMILESCOC(=O)CCc1cccc(-c2c(F)cccc2OC)c1
InChIInChI=1S/C17H17FO3/c1-20-15-8-4-7-14(18)17(15)13-6-3-5-12(11-13)9-10-16(19)21-2/h3-8,11H,9-10H2,1-2H3
InChIKeyTWNNGCJRNADYBK-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate
CID 91113479
methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
CID 67528095
methyl 3-[4-[[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoate
CID 57413460
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
CID 58903192
methyl 3-[3-(2-carbamoyl-1-benzothiophen-3-yl)phenyl]propanoate
CID 170751313
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine
CID 70696912
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472
methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
CID 82543594
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate?
The IUPAC name of methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate (CID 146186663) is methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate?
The canonical SMILES for methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate is COC(=O)CCc1cccc(-c2c(F)cccc2OC)c1.
What is the InChIKey of methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate?
The InChIKey is TWNNGCJRNADYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-15-8-4-7-14(18)17(15)13-6-3-5-12(11-13)9-10-16(19)21-2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate?
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate has a molecular weight of 288.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 146186663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).