1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine

C27H26F3NO — CID 19612162

IUPAC1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(-c2ccccc2)cc1CCN1CC=C(c2cc(F)c(F)c(C)c2F)CC1
InChIInChI=1S/C27H26F3NO/c1-18-26(29)23(17-24(28)27(18)30)20-10-13-31(14-11-20)15-12-22-16-21(8-9-25(22)32-2)19-6-4-3-5-7-19/h3-10,16-17H,11-15H2,1-2H3
InChIKeyWGBOFVNGJKEONS-UHFFFAOYSA-N
MW437.51 g/mol
LogP6.42
Rot. Bonds6

About 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine

1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 19612162) has the molecular formula C27H26F3NO and a molecular weight of 437.51 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine
PubChem CID19612162
Molecular FormulaC27H26F3NO
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(-c2ccccc2)cc1CCN1CC=C(c2cc(F)c(F)c(C)c2F)CC1
InChIInChI=1S/C27H26F3NO/c1-18-26(29)23(17-24(28)27(18)30)20-10-13-31(14-11-20)15-12-22-16-21(8-9-25(22)32-2)19-6-4-3-5-7-19/h3-10,16-17H,11-15H2,1-2H3
InChIKeyWGBOFVNGJKEONS-UHFFFAOYSA-N
XLogP6.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine (CID 19612162) is 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine is COc1ccc(-c2ccccc2)cc1CCN1CC=C(c2cc(F)c(F)c(C)c2F)CC1.
What is the InChIKey of 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WGBOFVNGJKEONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3NO/c1-18-26(29)23(17-24(28)27(18)30)20-10-13-31(14-11-20)15-12-22-16-21(8-9-25(22)32-2)19-6-4-3-5-7-19/h3-10,16-17H,11-15H2,1-2H3.
What are the key properties of 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine?
1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 437.51 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19612162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).