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

C28H40O — CID 102407772

IUPAC1-ethenyl-2-(4-tetradecoxyphenyl)benzene
SMILESC=Cc1ccccc1-c1ccc(OCCCCCCCCCCCCCC)cc1
InChIInChI=1S/C28H40O/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-29-27-22-20-26(21-23-27)28-19-16-15-18-25(28)4-2/h4,15-16,18-23H,2-3,5-14,17,24H2,1H3
InChIKeyJNWMGSRRABTLGR-UHFFFAOYSA-N
MW392.63 g/mol
LogP9.08
Rot. Bonds16

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

1-ethenyl-2-(4-tetradecoxyphenyl)benzene (PubChem CID 102407772) has the molecular formula C28H40O and a molecular weight of 392.63 g/mol. Its IUPAC name is 1-ethenyl-2-(4-tetradecoxyphenyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(4-tetradecoxyphenyl)benzene
PubChem CID102407772
Molecular FormulaC28H40O
Molecular Weight392.63 g/mol
Exact Mass392.31
IUPAC Name1-ethenyl-2-(4-tetradecoxyphenyl)benzene
SMILESC=Cc1ccccc1-c1ccc(OCCCCCCCCCCCCCC)cc1
InChIInChI=1S/C28H40O/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-29-27-22-20-26(21-23-27)28-19-16-15-18-25(28)4-2/h4,15-16,18-23H,2-3,5-14,17,24H2,1H3
InChIKeyJNWMGSRRABTLGR-UHFFFAOYSA-N
XLogP9.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenyl-2-(4-tetradecoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
1-ethenyl-2-heptadecoxybenzene
CID 139672731
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-pentoxy-4-phenylbenzene
CID 7021155
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-[2-(4-octoxyphenyl)phenyl]benzoic acid
CID 131719004
hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene
CID 175076692

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(4-tetradecoxyphenyl)benzene?
The IUPAC name of 1-ethenyl-2-(4-tetradecoxyphenyl)benzene (CID 102407772) is 1-ethenyl-2-(4-tetradecoxyphenyl)benzene.
What is the SMILES notation for 1-ethenyl-2-(4-tetradecoxyphenyl)benzene?
The canonical SMILES for 1-ethenyl-2-(4-tetradecoxyphenyl)benzene is C=Cc1ccccc1-c1ccc(OCCCCCCCCCCCCCC)cc1.
What is the InChIKey of 1-ethenyl-2-(4-tetradecoxyphenyl)benzene?
The InChIKey is JNWMGSRRABTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-29-27-22-20-26(21-23-27)28-19-16-15-18-25(28)4-2/h4,15-16,18-23H,2-3,5-14,17,24H2,1H3.
What are the key properties of 1-ethenyl-2-(4-tetradecoxyphenyl)benzene?
1-ethenyl-2-(4-tetradecoxyphenyl)benzene has a molecular weight of 392.63 g/mol, XLogP of 9.08, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(4-tetradecoxyphenyl)benzene is sourced from PubChem (CID 102407772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).