1-bromo-3-(4-butylphenyl)benzene

C16H17Br — CID 83666147

IUPAC1-bromo-3-(4-butylphenyl)benzene
SMILESCCCCc1ccc(-c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17Br/c1-2-3-5-13-8-10-14(11-9-13)15-6-4-7-16(17)12-15/h4,6-12H,2-3,5H2,1H3
InChIKeyCFDKZIYVPHQFDQ-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.46
Rot. Bonds4

About 1-bromo-3-(4-butylphenyl)benzene

1-bromo-3-(4-butylphenyl)benzene (PubChem CID 83666147) has the molecular formula C16H17Br and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-bromo-3-(4-butylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(4-butylphenyl)benzene
PubChem CID83666147
Molecular FormulaC16H17Br
Molecular Weight289.22 g/mol
Exact Mass288.05
IUPAC Name1-bromo-3-(4-butylphenyl)benzene
SMILESCCCCc1ccc(-c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17Br/c1-2-3-5-13-8-10-14(11-9-13)15-6-4-7-16(17)12-15/h4,6-12H,2-3,5H2,1H3
InChIKeyCFDKZIYVPHQFDQ-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
9-[3,5-bis(3-bromophenyl)phenyl]-10-(3,5-dipentylphenyl)anthracene
CID 134392863
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
1-[3-(4-butylphenyl)phenyl]ethanone
CID 11334246
3-(4-butylphenyl)benzoic acid
CID 2757303
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-butylphenyl)benzene?
The IUPAC name of 1-bromo-3-(4-butylphenyl)benzene (CID 83666147) is 1-bromo-3-(4-butylphenyl)benzene.
What is the SMILES notation for 1-bromo-3-(4-butylphenyl)benzene?
The canonical SMILES for 1-bromo-3-(4-butylphenyl)benzene is CCCCc1ccc(-c2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-(4-butylphenyl)benzene?
The InChIKey is CFDKZIYVPHQFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br/c1-2-3-5-13-8-10-14(11-9-13)15-6-4-7-16(17)12-15/h4,6-12H,2-3,5H2,1H3.
What are the key properties of 1-bromo-3-(4-butylphenyl)benzene?
1-bromo-3-(4-butylphenyl)benzene has a molecular weight of 289.22 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-butylphenyl)benzene is sourced from PubChem (CID 83666147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).