methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate

C23H19FO4 — CID 175426334

IUPACmethyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
SMILESCOC(=O)c1c(O)cc(OCc2ccccc2)cc1C=Cc1ccc(F)cc1
InChIInChI=1S/C23H19FO4/c1-27-23(26)22-18(10-7-16-8-11-19(24)12-9-16)13-20(14-21(22)25)28-15-17-5-3-2-4-6-17/h2-14,25H,15H2,1H3
InChIKeyMFCVYDSNYFLAFO-UHFFFAOYSA-N
MW378.40 g/mol
LogP5.07
Rot. Bonds6

About methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate

methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate (PubChem CID 175426334) has the molecular formula C23H19FO4 and a molecular weight of 378.40 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
PubChem CID175426334
Molecular FormulaC23H19FO4
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Namemethyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
SMILESCOC(=O)c1c(O)cc(OCc2ccccc2)cc1C=Cc1ccc(F)cc1
InChIInChI=1S/C23H19FO4/c1-27-23(26)22-18(10-7-16-8-11-19(24)12-9-16)13-20(14-21(22)25)28-15-17-5-3-2-4-6-17/h2-14,25H,15H2,1H3
InChIKeyMFCVYDSNYFLAFO-UHFFFAOYSA-N
XLogP5.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 163207609
4-(2,2-difluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxybenzoic acid
CID 175696041
methyl 4-(2,2-difluoroethoxy)-2-hydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 175426319
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
methyl 2-hydroxy-4-methoxy-6-[2-(3-methylphenyl)ethenyl]benzoate
CID 154074873
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-[2-(4-fluorophenyl)ethenyl]-5-[(2-methylphenyl)methoxy]benzoate
CID 67305335
methyl 2-[2-(2,6-dimethoxyphenyl)ethenyl]-6-hydroxy-4-methoxybenzoate
CID 154074888
methyl 2-hydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethenyl]-4-(1,2,3-trifluoropropoxy)benzoate
CID 175426375
methyl 2-hydroxy-4-[2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethenyl]benzoate
CID 54041091
methyl 4-cyclobutyloxy-2-hydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 175426321
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate (CID 175426334) is methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate is COC(=O)c1c(O)cc(OCc2ccccc2)cc1C=Cc1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate?
The InChIKey is MFCVYDSNYFLAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO4/c1-27-23(26)22-18(10-7-16-8-11-19(24)12-9-16)13-20(14-21(22)25)28-15-17-5-3-2-4-6-17/h2-14,25H,15H2,1H3.
What are the key properties of methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate?
methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate has a molecular weight of 378.40 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 175426334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).