2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine

C31H31NO2 — CID 156774936

IUPAC2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine
SMILESCc1cccc(/C=C/c2cc(OCc3ccccc3)c(C(C)C)c(OCc3ccccc3)c2)n1
InChIInChI=1S/C31H31NO2/c1-23(2)31-29(33-21-25-12-6-4-7-13-25)19-27(17-18-28-16-10-11-24(3)32-28)20-30(31)34-22-26-14-8-5-9-15-26/h4-20,23H,21-22H2,1-3H3/b18-17+
InChIKeyKGLJPODIXCZXJH-ISLYRVAYSA-N
MW449.59 g/mol
LogP7.84
Rot. Bonds9

About 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine

2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine (PubChem CID 156774936) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine
PubChem CID156774936
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine
SMILESCc1cccc(/C=C/c2cc(OCc3ccccc3)c(C(C)C)c(OCc3ccccc3)c2)n1
InChIInChI=1S/C31H31NO2/c1-23(2)31-29(33-21-25-12-6-4-7-13-25)19-27(17-18-28-16-10-11-24(3)32-28)20-30(31)34-22-26-14-8-5-9-15-26/h4-20,23H,21-22H2,1-3H3/b18-17+
InChIKeyKGLJPODIXCZXJH-ISLYRVAYSA-N
XLogP7.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan
CID 175814090
2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016
5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene
CID 165177480
2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride
CID 141048759
5-methyl-2-(2-phenylethenyl)-4-phenylmethoxypyridine
CID 54482733
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037879
2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037847
1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
CID 163194899
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine?
The IUPAC name of 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine (CID 156774936) is 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine.
What is the SMILES notation for 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine?
The canonical SMILES for 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine is Cc1cccc(/C=C/c2cc(OCc3ccccc3)c(C(C)C)c(OCc3ccccc3)c2)n1.
What is the InChIKey of 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine?
The InChIKey is KGLJPODIXCZXJH-ISLYRVAYSA-N. The full InChI is InChI=1S/C31H31NO2/c1-23(2)31-29(33-21-25-12-6-4-7-13-25)19-27(17-18-28-16-10-11-24(3)32-28)20-30(31)34-22-26-14-8-5-9-15-26/h4-20,23H,21-22H2,1-3H3/b18-17+.
What are the key properties of 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine?
2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine has a molecular weight of 449.59 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine is sourced from PubChem (CID 156774936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).