1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene

C17H18 — CID 18968417

IUPAC1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
SMILESC/C(=C\c1ccccc1)c1cccc(C)c1C
InChIInChI=1S/C17H18/c1-13-8-7-11-17(15(13)3)14(2)12-16-9-5-4-6-10-16/h4-12H,1-3H3/b14-12+
InChIKeyIFPUSAKTWFLYFJ-WYMLVPIESA-N
MW222.33 g/mol
LogP4.86
Rot. Bonds2

About 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene

1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene (PubChem CID 18968417) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
PubChem CID18968417
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
SMILESC/C(=C\c1ccccc1)c1cccc(C)c1C
InChIInChI=1S/C17H18/c1-13-8-7-11-17(15(13)3)14(2)12-16-9-5-4-6-10-16/h4-12H,1-3H3/b14-12+
InChIKeyIFPUSAKTWFLYFJ-WYMLVPIESA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
CID 70499043
CID 70499043
1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
CID 54101312
(E)-3-(2,3-dimethylphenyl)but-2-enal
CID 71623071
1-[(E)-5-bromopent-2-en-2-yl]-2,3-dimethylbenzene
CID 82088113
1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium
CID 151006478
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
CID 173398472
N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline
CID 69047473
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine
CID 15892281

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene?
The IUPAC name of 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene (CID 18968417) is 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene is C/C(=C\c1ccccc1)c1cccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene?
The InChIKey is IFPUSAKTWFLYFJ-WYMLVPIESA-N. The full InChI is InChI=1S/C17H18/c1-13-8-7-11-17(15(13)3)14(2)12-16-9-5-4-6-10-16/h4-12H,1-3H3/b14-12+.
What are the key properties of 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene?
1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene is sourced from PubChem (CID 18968417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).