dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C28H32FNO5 — CID 78357965

IUPACdimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C28H32FNO5/c1-16(2)25-23(27(31)33-5)22(24(28(32)34-6)26(30-25)17(3)4)20-13-12-19(29)14-21(20)35-15-18-10-8-7-9-11-18/h7-14,16-17,22,30H,15H2,1-6H3
InChIKeySYCHADDPLRWTGO-UHFFFAOYSA-N
MW481.56 g/mol
LogP5.26
Rot. Bonds8

About dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 78357965) has the molecular formula C28H32FNO5 and a molecular weight of 481.56 g/mol. Its IUPAC name is dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID78357965
Molecular FormulaC28H32FNO5
Molecular Weight481.56 g/mol
Exact Mass481.23
IUPAC Namedimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C28H32FNO5/c1-16(2)25-23(27(31)33-5)22(24(28(32)34-6)26(30-25)17(3)4)20-13-12-19(29)14-21(20)35-15-18-10-8-7-9-11-18/h7-14,16-17,22,30H,15H2,1-6H3
InChIKeySYCHADDPLRWTGO-UHFFFAOYSA-N
XLogP5.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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Related Compounds

methyl 4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845663
methyl 4-[2-[(3-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 13242151
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261
methyl 2-oxo-4-(4-phenylmethoxyphenyl)-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844421
methyl 2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 2888971
ethyl 4-(3-methoxy-2-phenylmethoxyphenyl)-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845682
dimethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4607750
methyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enylpyridine-3-carboxylate
CID 131854388
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
4-(5-bromo-2-phenylmethoxyphenyl)-N-ethyl-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 143534675

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 78357965) is dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1c1ccc(F)cc1OCc1ccccc1.
What is the InChIKey of dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is SYCHADDPLRWTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FNO5/c1-16(2)25-23(27(31)33-5)22(24(28(32)34-6)26(30-25)17(3)4)20-13-12-19(29)14-21(20)35-15-18-10-8-7-9-11-18/h7-14,16-17,22,30H,15H2,1-6H3.
What are the key properties of dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 481.56 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 78357965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).