1-ethenyl-2-(4-hexylphenyl)benzene

C20H24 — CID 173095750

IUPAC1-ethenyl-2-(4-hexylphenyl)benzene
SMILESC=Cc1ccccc1-c1ccc(CCCCCC)cc1
InChIInChI=1S/C20H24/c1-3-5-6-7-10-17-13-15-19(16-14-17)20-12-9-8-11-18(20)4-2/h4,8-9,11-16H,2-3,5-7,10H2,1H3
InChIKeyVYWZZSNZKGDZHC-UHFFFAOYSA-N
MW264.41 g/mol
LogP6.12
Rot. Bonds7

About 1-ethenyl-2-(4-hexylphenyl)benzene

1-ethenyl-2-(4-hexylphenyl)benzene (PubChem CID 173095750) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-ethenyl-2-(4-hexylphenyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(4-hexylphenyl)benzene
PubChem CID173095750
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-ethenyl-2-(4-hexylphenyl)benzene
SMILESC=Cc1ccccc1-c1ccc(CCCCCC)cc1
InChIInChI=1S/C20H24/c1-3-5-6-7-10-17-13-15-19(16-14-17)20-12-9-8-11-18(20)4-2/h4,8-9,11-16H,2-3,5-7,10H2,1H3
InChIKeyVYWZZSNZKGDZHC-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
1-ethenyl-2-(4-tetradecoxyphenyl)benzene
CID 102407772
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-iodo-2-(4-octylphenyl)benzene
CID 87323299
1-pentadecyl-4-phenylbenzene
CID 57166115
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
ethenylsilane;heptylbenzene
CID 174982410
1-ethenyl-2-pentylbenzene
CID 22171756
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
[2-(4-decylphenyl)phenyl]iodanium tetrafluoroborate
CID 87322663

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(4-hexylphenyl)benzene?
The IUPAC name of 1-ethenyl-2-(4-hexylphenyl)benzene (CID 173095750) is 1-ethenyl-2-(4-hexylphenyl)benzene.
What is the SMILES notation for 1-ethenyl-2-(4-hexylphenyl)benzene?
The canonical SMILES for 1-ethenyl-2-(4-hexylphenyl)benzene is C=Cc1ccccc1-c1ccc(CCCCCC)cc1.
What is the InChIKey of 1-ethenyl-2-(4-hexylphenyl)benzene?
The InChIKey is VYWZZSNZKGDZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-3-5-6-7-10-17-13-15-19(16-14-17)20-12-9-8-11-18(20)4-2/h4,8-9,11-16H,2-3,5-7,10H2,1H3.
What are the key properties of 1-ethenyl-2-(4-hexylphenyl)benzene?
1-ethenyl-2-(4-hexylphenyl)benzene has a molecular weight of 264.41 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(4-hexylphenyl)benzene is sourced from PubChem (CID 173095750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).