1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

C19H20 — CID 102074694

IUPAC1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESCc1cc(C)c(/C=C/C=C/c2ccccc2)cc1C
InChIInChI=1S/C19H20/c1-15-13-17(3)19(14-16(15)2)12-8-7-11-18-9-5-4-6-10-18/h4-14H,1-3H3/b11-7+,12-8+
InChIKeyUPNQIKPKIXYHSB-MKICQXMISA-N
MW248.37 g/mol
LogP5.34
Rot. Bonds3

About 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 102074694) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
PubChem CID102074694
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESCc1cc(C)c(/C=C/C=C/c2ccccc2)cc1C
InChIInChI=1S/C19H20/c1-15-13-17(3)19(14-16(15)2)12-8-7-11-18-9-5-4-6-10-18/h4-14H,1-3H3/b11-7+,12-8+
InChIKeyUPNQIKPKIXYHSB-MKICQXMISA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
CID 173274077
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
1-N,3-N-bis(4-methylphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-N,3-N-bis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 121368155
[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane
CID 59974310
bis(1,2-bis[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene);tetrakis(palladium);tetratetrafluoroborate
CID 53491375

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (CID 102074694) is 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is Cc1cc(C)c(/C=C/C=C/c2ccccc2)cc1C.
What is the InChIKey of 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is UPNQIKPKIXYHSB-MKICQXMISA-N. The full InChI is InChI=1S/C19H20/c1-15-13-17(3)19(14-16(15)2)12-8-7-11-18-9-5-4-6-10-18/h4-14H,1-3H3/b11-7+,12-8+.
What are the key properties of 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 102074694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).