methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate

C24H21FO3 — CID 67305335

IUPACmethyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(C=Cc2ccc(F)cc2)cc(OCc2ccccc2C)c1
InChIInChI=1S/C24H21FO3/c1-17-5-3-4-6-20(17)16-28-23-14-19(13-21(15-23)24(26)27-2)8-7-18-9-11-22(25)12-10-18/h3-15H,16H2,1-2H3
InChIKeyDRBUWDLIIYRSJP-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.67
Rot. Bonds6

About methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate

methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate (PubChem CID 67305335) has the molecular formula C24H21FO3 and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate
PubChem CID67305335
Molecular FormulaC24H21FO3
Molecular Weight376.43 g/mol
Exact Mass376.15
IUPAC Namemethyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(C=Cc2ccc(F)cc2)cc(OCc2ccccc2C)c1
InChIInChI=1S/C24H21FO3/c1-17-5-3-4-6-20(17)16-28-23-14-19(13-21(15-23)24(26)27-2)8-7-18-9-11-22(25)12-10-18/h3-15H,16H2,1-2H3
InChIKeyDRBUWDLIIYRSJP-UHFFFAOYSA-N
XLogP5.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
6-[(E)-2-[3-[(2-fluorophenyl)methoxy]-5-[(2-methylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid
CID 58840951
methyl 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 163207609
methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 175426334
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
(E)-3-[4-[(2-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 83477820
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine
CID 142213579
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
prop-2-ynyl 3-[(2-methylphenyl)methoxy]benzoate
CID 91681572
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate?
The IUPAC name of methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate (CID 67305335) is methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate?
The canonical SMILES for methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate is COC(=O)c1cc(C=Cc2ccc(F)cc2)cc(OCc2ccccc2C)c1.
What is the InChIKey of methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate?
The InChIKey is DRBUWDLIIYRSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO3/c1-17-5-3-4-6-20(17)16-28-23-14-19(13-21(15-23)24(26)27-2)8-7-18-9-11-22(25)12-10-18/h3-15H,16H2,1-2H3.
What are the key properties of methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate?
methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate has a molecular weight of 376.43 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 67305335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).