2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene

C24H30 — CID 142815850

IUPAC2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene
SMILESC=C(CC)c1cccc(C(=Cc2cc(C)ccc2C)CCCC)c1
InChIInChI=1S/C24H30/c1-6-8-10-22(17-24-15-18(3)13-14-20(24)5)23-12-9-11-21(16-23)19(4)7-2/h9,11-17H,4,6-8,10H2,1-3,5H3
InChIKeyJTXUNZIFALMTHD-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.46
Rot. Bonds7

About 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene

2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene (PubChem CID 142815850) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene
PubChem CID142815850
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene
SMILESC=C(CC)c1cccc(C(=Cc2cc(C)ccc2C)CCCC)c1
InChIInChI=1S/C24H30/c1-6-8-10-22(17-24-15-18(3)13-14-20(24)5)23-12-9-11-21(16-23)19(4)7-2/h9,11-17H,4,6-8,10H2,1-3,5H3
InChIKeyJTXUNZIFALMTHD-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.46
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

1,3-bis(but-1-en-2-yl)benzene
CID 19692093
4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene
CID 145300557
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
5,9-bis(3-methylphenyl)trideca-5,8-dien-7-one
CID 139998292
1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane
CID 143194755
1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
CID 173389416
2-[2-(chloromethyl)but-1-enyl]-1,4-dimethylbenzene
CID 79334693
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
1-[3-[(E)-1-(2,5-dimethylphenyl)prop-1-en-2-yl]-5-propylphenyl]ethanone
CID 144776567
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene
CID 72711989
1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene (CID 142815850) is 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene is C=C(CC)c1cccc(C(=Cc2cc(C)ccc2C)CCCC)c1.
What is the InChIKey of 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene?
The InChIKey is JTXUNZIFALMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-6-8-10-22(17-24-15-18(3)13-14-20(24)5)23-12-9-11-21(16-23)19(4)7-2/h9,11-17H,4,6-8,10H2,1-3,5H3.
What are the key properties of 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene?
2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene has a molecular weight of 318.50 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene is sourced from PubChem (CID 142815850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).