1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine

C31H33NO — CID 143393843

IUPAC1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccc(-c2ccc(C)c(OCC)c2)nc1.Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO.C14H14/c1-5-19-17-10-14(7-6-13(17)4)16-9-8-15(11-18-16)12(2)3;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h6-11H,2,5H2,1,3-4H3;2-10H,11H2,1H3
InChIKeyLLDFIODQRXJEDZ-UHFFFAOYSA-N
MW435.61 g/mol
LogP8.07
Rot. Bonds6

About 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine

1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine (PubChem CID 143393843) has the molecular formula C31H33NO and a molecular weight of 435.61 g/mol. Its IUPAC name is 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine
PubChem CID143393843
Molecular FormulaC31H33NO
Molecular Weight435.61 g/mol
Exact Mass435.26
IUPAC Name1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccc(-c2ccc(C)c(OCC)c2)nc1.Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO.C14H14/c1-5-19-17-10-14(7-6-13(17)4)16-9-8-15(11-18-16)12(2)3;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h6-11H,2,5H2,1,3-4H3;2-10H,11H2,1H3
InChIKeyLLDFIODQRXJEDZ-UHFFFAOYSA-N
XLogP8.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(3-benzyl-4-methylphenyl)-3-pyridinyl]-triethylsilane
CID 162710625
1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene
CID 144789620
1-benzyl-4-methylbenzene;toluene
CID 144690555
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
ethyl 5-(4-methyl-3-phenylmethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399374
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
CID 144719358

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine?
The IUPAC name of 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine (CID 143393843) is 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine?
The canonical SMILES for 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine is C=C(C)c1ccc(-c2ccc(C)c(OCC)c2)nc1.Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine?
The InChIKey is LLDFIODQRXJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C14H14/c1-5-19-17-10-14(7-6-13(17)4)16-9-8-15(11-18-16)12(2)3;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h6-11H,2,5H2,1,3-4H3;2-10H,11H2,1H3.
What are the key properties of 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine?
1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine has a molecular weight of 435.61 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 143393843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).