1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene

C18H20 — CID 141387094

IUPAC1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C18H20/c1-13-5-7-17(8-6-13)9-10-18-11-14(2)16(4)15(3)12-18/h5-12H,1-4H3/b10-9+
InChIKeyHAAQOJPIPROXEP-MDZDMXLPSA-N
MW236.36 g/mol
LogP5.09
Rot. Bonds2

About 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene

1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene (PubChem CID 141387094) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
PubChem CID141387094
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C18H20/c1-13-5-7-17(8-6-13)9-10-18-11-14(2)16(4)15(3)12-18/h5-12H,1-4H3/b10-9+
InChIKeyHAAQOJPIPROXEP-MDZDMXLPSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.09
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

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene
CID 158075827
6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 10690281
1,4-bis[2-(4-methylphenyl)ethenyl]-2,5-bis(methylsulfonyl)benzene
CID 76573331
2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
CID 161062923
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene
CID 21365152
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene (CID 141387094) is 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene is Cc1ccc(/C=C/c2cc(C)c(C)c(C)c2)cc1.
What is the InChIKey of 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is HAAQOJPIPROXEP-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20/c1-13-5-7-17(8-6-13)9-10-18-11-14(2)16(4)15(3)12-18/h5-12H,1-4H3/b10-9+.
What are the key properties of 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene?
1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 141387094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).