1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene

C27H30 — CID 58428364

IUPAC1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
SMILESC=C(C)c1ccc(CCc2ccc(-c3ccc(CCCC)cc3)cc2)cc1
InChIInChI=1S/C27H30/c1-4-5-6-22-11-17-26(18-12-22)27-19-13-24(14-20-27)8-7-23-9-15-25(16-10-23)21(2)3/h9-20H,2,4-8H2,1,3H3
InChIKeyHPSCAWWNRQKMIT-UHFFFAOYSA-N
MW354.54 g/mol
LogP7.51
Rot. Bonds8

About 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene

1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene (PubChem CID 58428364) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
PubChem CID58428364
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
SMILESC=C(C)c1ccc(CCc2ccc(-c3ccc(CCCC)cc3)cc2)cc1
InChIInChI=1S/C27H30/c1-4-5-6-22-11-17-26(18-12-22)27-19-13-24(14-20-27)8-7-23-9-15-25(16-10-23)21(2)3/h9-20H,2,4-8H2,1,3H3
InChIKeyHPSCAWWNRQKMIT-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4-butylphenyl)phenyl]ethenamine
CID 166698710
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
2-(4-butylphenyl)prop-2-en-1-ol
CID 58735370
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
2-phenyl-6-[2-(4-prop-1-en-2-ylphenyl)ethyl]naphthalene
CID 58428339
1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene?
The IUPAC name of 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene (CID 58428364) is 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene.
What is the SMILES notation for 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene?
The canonical SMILES for 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene is C=C(C)c1ccc(CCc2ccc(-c3ccc(CCCC)cc3)cc2)cc1.
What is the InChIKey of 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene?
The InChIKey is HPSCAWWNRQKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30/c1-4-5-6-22-11-17-26(18-12-22)27-19-13-24(14-20-27)8-7-23-9-15-25(16-10-23)21(2)3/h9-20H,2,4-8H2,1,3H3.
What are the key properties of 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene?
1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene has a molecular weight of 354.54 g/mol, XLogP of 7.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene is sourced from PubChem (CID 58428364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).