methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate

C24H23FO3 — CID 58903192

IUPACmethyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cccc(-c3ccc(F)cc3C)c2)cc1
InChIInChI=1S/C24H23FO3/c1-17-14-21(25)9-12-23(17)20-5-3-4-19(15-20)16-28-22-10-6-18(7-11-22)8-13-24(26)27-2/h3-7,9-12,14-15H,8,13,16H2,1-2H3
InChIKeyOFCSMPGWHVXWQT-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.49
Rot. Bonds7

About methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate

methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate (PubChem CID 58903192) has the molecular formula C24H23FO3 and a molecular weight of 378.44 g/mol. Its IUPAC name is methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
PubChem CID58903192
Molecular FormulaC24H23FO3
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Namemethyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2cccc(-c3ccc(F)cc3C)c2)cc1
InChIInChI=1S/C24H23FO3/c1-17-14-21(25)9-12-23(17)20-5-3-4-19(15-20)16-28-22-10-6-18(7-11-22)8-13-24(26)27-2/h3-7,9-12,14-15H,8,13,16H2,1-2H3
InChIKeyOFCSMPGWHVXWQT-UHFFFAOYSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate 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

methyl 3-[4-[[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoate
CID 57413460
methyl 3-[4-[[3-(2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 23083192
methyl 3-[4-[[3-[2-methyl-4-(3-pyridin-2-ylpropoxy)phenyl]phenyl]methoxy]phenyl]propanoate
CID 58903135
methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
CID 67528095
methyl 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]propanoate
CID 23159874
methyl 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoate
CID 23159922
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
2,2-dideuterio-3-[4-[[3-(4-ethoxy-2-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 175112900
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate (CID 58903192) is methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCc2cccc(-c3ccc(F)cc3C)c2)cc1.
What is the InChIKey of methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate?
The InChIKey is OFCSMPGWHVXWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO3/c1-17-14-21(25)9-12-23(17)20-5-3-4-19(15-20)16-28-22-10-6-18(7-11-22)8-13-24(26)27-2/h3-7,9-12,14-15H,8,13,16H2,1-2H3.
What are the key properties of methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate?
methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate has a molecular weight of 378.44 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate is sourced from PubChem (CID 58903192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).