5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine

C18H17NO — CID 170539917

IUPAC5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine
SMILESCC1=CN=C(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C18H17NO/c1-14-7-12-18(19-13-14)15-8-10-17(11-9-15)20-16-5-3-2-4-6-16/h2-6,8-11,13H,7,12H2,1H3
InChIKeyNNXMZUUKKYYZOA-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.97
Rot. Bonds3

About 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine

5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine (PubChem CID 170539917) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine
PubChem CID170539917
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine
SMILESCC1=CN=C(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C18H17NO/c1-14-7-12-18(19-13-14)15-8-10-17(11-9-15)20-16-5-3-2-4-6-16/h2-6,8-11,13H,7,12H2,1H3
InChIKeyNNXMZUUKKYYZOA-UHFFFAOYSA-N
XLogP4.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
1-(cyclopenten-1-yl)-4-phenoxybenzene
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3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
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2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene
CID 139532514
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
5-methyl-3-(4-phenoxyphenyl)-1H-1,2,4-triazole
CID 44516316
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
3,6-dimethyl-2-(4-phenoxyphenyl)aniline
CID 173271409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine?
The IUPAC name of 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine (CID 170539917) is 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine.
What is the SMILES notation for 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine?
The canonical SMILES for 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine is CC1=CN=C(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine?
The InChIKey is NNXMZUUKKYYZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-14-7-12-18(19-13-14)15-8-10-17(11-9-15)20-16-5-3-2-4-6-16/h2-6,8-11,13H,7,12H2,1H3.
What are the key properties of 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine?
5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine has a molecular weight of 263.34 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenoxyphenyl)-3,4-dihydropyridine is sourced from PubChem (CID 170539917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).