1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene

C17H18 — CID 15520037

IUPAC1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
SMILESC/C(=C\c1ccccc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H18/c1-13-9-14(2)11-17(10-13)15(3)12-16-7-5-4-6-8-16/h4-12H,1-3H3/b15-12+
InChIKeyIAWQEBONTMKAIU-NTCAYCPXSA-N
MW222.33 g/mol
LogP4.86
Rot. Bonds2

About 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene

1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene (PubChem CID 15520037) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
PubChem CID15520037
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
SMILESC/C(=C\c1ccccc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H18/c1-13-9-14(2)11-17(10-13)15(3)12-16-7-5-4-6-8-16/h4-12H,1-3H3/b15-12+
InChIKeyIAWQEBONTMKAIU-NTCAYCPXSA-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-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
1,3-dimethyl-5-[(1Z,3Z)-1,2,3,4-tetraphenylbuta-1,3-dienyl]benzene
CID 164679247
benzaldehyde;oxophosphane;1,3,5-trimethylbenzene
CID 174455120
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
4-(2-phenylprop-1-enyl)phenol
CID 54547938
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
CID 57256038
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene?
The IUPAC name of 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene (CID 15520037) is 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene is C/C(=C\c1ccccc1)c1cc(C)cc(C)c1.
What is the InChIKey of 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene?
The InChIKey is IAWQEBONTMKAIU-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H18/c1-13-9-14(2)11-17(10-13)15(3)12-16-7-5-4-6-8-16/h4-12H,1-3H3/b15-12+.
What are the key properties of 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene?
1,3-dimethyl-5-[(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 1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene is sourced from PubChem (CID 15520037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).