1-bromo-4-[1-(4-bromophenyl)pentyl]benzene

C17H18Br2 — CID 154634126

IUPAC1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
SMILESCCCCC(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18Br2/c1-2-3-4-17(13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,17H,2-4H2,1H3
InChIKeyUZRCMWCATYCVSP-UHFFFAOYSA-N
MW382.14 g/mol
LogP6.53
Rot. Bonds5

About 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene

1-bromo-4-[1-(4-bromophenyl)pentyl]benzene (PubChem CID 154634126) has the molecular formula C17H18Br2 and a molecular weight of 382.14 g/mol. Its IUPAC name is 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
PubChem CID154634126
Molecular FormulaC17H18Br2
Molecular Weight382.14 g/mol
Exact Mass379.98
IUPAC Name1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
SMILESCCCCC(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18Br2/c1-2-3-4-17(13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,17H,2-4H2,1H3
InChIKeyUZRCMWCATYCVSP-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.14
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-bromophenyl)pentane-1-thiol
CID 121216677
4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
CID 22919933
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]propyl]phenyl]pentyl]aniline
CID 22919318
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457
1-bromo-4-(1-bromodecan-2-yl)benzene
CID 79434996
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene?
The IUPAC name of 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene (CID 154634126) is 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene is CCCCC(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene?
The InChIKey is UZRCMWCATYCVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2/c1-2-3-4-17(13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,17H,2-4H2,1H3.
What are the key properties of 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene?
1-bromo-4-[1-(4-bromophenyl)pentyl]benzene has a molecular weight of 382.14 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(4-bromophenyl)pentyl]benzene is sourced from PubChem (CID 154634126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).