1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene

C23H28 — CID 153358901

IUPAC1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene
SMILESCC(C)=C(C)/C(=C(\C)c1ccc(C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C23H28/c1-15(2)19(6)23(22-13-17(4)12-18(5)14-22)20(7)21-10-8-16(3)9-11-21/h8-14H,1-7H3/b23-20-
InChIKeyVUCMMSDNHFEYGE-ATJXCDBQSA-N
MW304.48 g/mol
LogP6.90
Rot. Bonds3

About 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene

1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene (PubChem CID 153358901) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene
PubChem CID153358901
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene
SMILESCC(C)=C(C)/C(=C(\C)c1ccc(C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C23H28/c1-15(2)19(6)23(22-13-17(4)12-18(5)14-22)20(7)21-10-8-16(3)9-11-21/h8-14H,1-7H3/b23-20-
InChIKeyVUCMMSDNHFEYGE-ATJXCDBQSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
CID 132538169
(E)-2,3-bis(4-methylphenyl)but-2-enoic acid
CID 137447893
(E)-3-(3-methylphenyl)-4-(4-methylphenyl)-2-propan-2-ylidenepent-3-enoic acid;2-methylpropane
CID 153358918
(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid
CID 137447920
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207
ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
CID 142494445
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
(E)-2,3-bis(3,5-dimethylphenyl)but-2-enediamide
CID 174720446
azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
CID 174764098
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene (CID 153358901) is 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene is CC(C)=C(C)/C(=C(\C)c1ccc(C)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene?
The InChIKey is VUCMMSDNHFEYGE-ATJXCDBQSA-N. The full InChI is InChI=1S/C23H28/c1-15(2)19(6)23(22-13-17(4)12-18(5)14-22)20(7)21-10-8-16(3)9-11-21/h8-14H,1-7H3/b23-20-.
What are the key properties of 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene?
1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene has a molecular weight of 304.48 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-4,5-dimethyl-2-(4-methylphenyl)hexa-2,4-dien-3-yl]-3,5-dimethylbenzene is sourced from PubChem (CID 153358901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).