1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene

C24H24 — CID 141453206

IUPAC1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
SMILESCCCCc1ccccc1-c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C24H24/c1-2-3-13-21-14-7-9-16-23(21)24-17-10-8-15-22(24)19-18-20-11-5-4-6-12-20/h4-12,14-19H,2-3,13H2,1H3/b19-18+
InChIKeyXBGFOYNNAZLDHP-VHEBQXMUSA-N
MW312.46 g/mol
LogP6.87
Rot. Bonds6

About 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene

1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene (PubChem CID 141453206) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene.

Molecular Properties

Compound Name1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
PubChem CID141453206
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
SMILESCCCCc1ccccc1-c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C24H24/c1-2-3-13-21-14-7-9-16-23(21)24-17-10-8-15-22(24)19-18-20-11-5-4-6-12-20/h4-12,14-19H,2-3,13H2,1H3/b19-18+
InChIKeyXBGFOYNNAZLDHP-VHEBQXMUSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.87
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-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene
CID 141453194
2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene
CID 174798899
5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
CID 141453211
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
CID 159940559
CID 159940559
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
2-(2-pentylphenyl)phenol
CID 66866892
gold;1-pentyl-2-phenylbenzene
CID 174945702

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene?
The IUPAC name of 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene (CID 141453206) is 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene.
What is the SMILES notation for 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene?
The canonical SMILES for 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene is CCCCc1ccccc1-c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene?
The InChIKey is XBGFOYNNAZLDHP-VHEBQXMUSA-N. The full InChI is InChI=1S/C24H24/c1-2-3-13-21-14-7-9-16-23(21)24-17-10-8-15-22(24)19-18-20-11-5-4-6-12-20/h4-12,14-19H,2-3,13H2,1H3/b19-18+.
What are the key properties of 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene?
1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene has a molecular weight of 312.46 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene is sourced from PubChem (CID 141453206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).