1-butyl-4-[(E)-2-phenylethenyl]benzene

C18H20 — CID 100931442

IUPAC1-butyl-4-[(E)-2-phenylethenyl]benzene
SMILESCCCCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H20/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-15H,2-3,7H2,1H3/b13-10+
InChIKeyUMRLRHAVLJQMSR-JLHYYAGUSA-N
MW236.36 g/mol
LogP5.20
Rot. Bonds5

About 1-butyl-4-[(E)-2-phenylethenyl]benzene

1-butyl-4-[(E)-2-phenylethenyl]benzene (PubChem CID 100931442) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-butyl-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[(E)-2-phenylethenyl]benzene
PubChem CID100931442
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-butyl-4-[(E)-2-phenylethenyl]benzene
SMILESCCCCc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H20/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-15H,2-3,7H2,1H3/b13-10+
InChIKeyUMRLRHAVLJQMSR-JLHYYAGUSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.20
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

4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
1-butyl-4-[2-[4-[2-[4-[2-(4-butylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 72534288
1-butyl-4-[2-[4-[4-[2-(4-butylphenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543235
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
CID 170865314
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
1-[4-[(E)-2-[4-[3-[4-[(E)-2-[4-[3-[4-[(E)-2-phenylethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]propyl]phenyl]ethenyl]phenyl]hexan-3-amine
CID 70640715
4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59518329
3-(4-butylphenyl)prop-2-enal
CID 20981088
butylbenzene;propylbenzene
CID 142022125
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
1-pentyl-4-[2-[4-[4-[2-(4-pentylphenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543307

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-butyl-4-[(E)-2-phenylethenyl]benzene (CID 100931442) is 1-butyl-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-butyl-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-butyl-4-[(E)-2-phenylethenyl]benzene is CCCCc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-butyl-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is UMRLRHAVLJQMSR-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H20/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-15H,2-3,7H2,1H3/b13-10+.
What are the key properties of 1-butyl-4-[(E)-2-phenylethenyl]benzene?
1-butyl-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 100931442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).