methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

C22H22FNO3 — CID 13242151

IUPACmethyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C22H22FNO3/c1-14-11-19(21(15(2)24-14)22(25)26-3)18-9-4-5-10-20(18)27-13-16-7-6-8-17(23)12-16/h4-12,19,24H,13H2,1-3H3
InChIKeyBGSHJEYHZJXRQH-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.44
Rot. Bonds5

About methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 13242151) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
PubChem CID13242151
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Namemethyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C22H22FNO3/c1-14-11-19(21(15(2)24-14)22(25)26-3)18-9-4-5-10-20(18)27-13-16-7-6-8-17(23)12-16/h4-12,19,24H,13H2,1-3H3
InChIKeyBGSHJEYHZJXRQH-UHFFFAOYSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,6-dimethyl-4-[2-[(3-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate
CID 13242150
dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 78357965
methyl 6-amino-4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 4767155
[4-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70450334
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
methyl (4S)-4-(3-methoxy-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7500288
methyl 2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 2888971
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
methyl 4-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 3138707
methyl (4S)-4-[2-[2-[2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98152304
methyl (4S)-4-[2-[[2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98152299
dimethyl 3-[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388008

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (CID 13242151) is methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is COC(=O)C1=C(C)NC(C)=CC1c1ccccc1OCc1cccc(F)c1.
What is the InChIKey of methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is BGSHJEYHZJXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-14-11-19(21(15(2)24-14)22(25)26-3)18-9-4-5-10-20(18)27-13-16-7-6-8-17(23)12-16/h4-12,19,24H,13H2,1-3H3.
What are the key properties of methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 13242151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).