2-(4-bromopentyl)-1,3-dichlorobenzene

C11H13BrCl2 — CID 64509594

IUPAC2-(4-bromopentyl)-1,3-dichlorobenzene
SMILESCC(Br)CCCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13BrCl2/c1-8(12)4-2-5-9-10(13)6-3-7-11(9)14/h3,6-8H,2,4-5H2,1H3
InChIKeyVQFRYDNBDVAYDM-UHFFFAOYSA-N
MW296.03 g/mol
LogP5.10
Rot. Bonds4

About 2-(4-bromopentyl)-1,3-dichlorobenzene

2-(4-bromopentyl)-1,3-dichlorobenzene (PubChem CID 64509594) has the molecular formula C11H13BrCl2 and a molecular weight of 296.03 g/mol. Its IUPAC name is 2-(4-bromopentyl)-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-(4-bromopentyl)-1,3-dichlorobenzene
PubChem CID64509594
Molecular FormulaC11H13BrCl2
Molecular Weight296.03 g/mol
Exact Mass293.96
IUPAC Name2-(4-bromopentyl)-1,3-dichlorobenzene
SMILESCC(Br)CCCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13BrCl2/c1-8(12)4-2-5-9-10(13)6-3-7-11(9)14/h3,6-8H,2,4-5H2,1H3
InChIKeyVQFRYDNBDVAYDM-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.03
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-2-(4-chlorohexyl)benzene
CID 64506411
2-(3-bromohexyl)-1,3-dichlorobenzene
CID 63471801
2-(4-bromohexyl)-1-chloro-3-fluorobenzene
CID 64507407
4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
CID 64513522
2-(4-bromo-2,2-dimethylpentyl)-1,3-dichlorobenzene
CID 64718339
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
3-(2,6-dichlorophenyl)propane-1-thiol
CID 83924894
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
1-chloro-2-pentyl-3-propan-2-ylbenzene
CID 173336336
6-(2,6-dichlorophenyl)hexane-1-thiol
CID 10777932
6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopentyl)-1,3-dichlorobenzene?
The IUPAC name of 2-(4-bromopentyl)-1,3-dichlorobenzene (CID 64509594) is 2-(4-bromopentyl)-1,3-dichlorobenzene.
What is the SMILES notation for 2-(4-bromopentyl)-1,3-dichlorobenzene?
The canonical SMILES for 2-(4-bromopentyl)-1,3-dichlorobenzene is CC(Br)CCCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(4-bromopentyl)-1,3-dichlorobenzene?
The InChIKey is VQFRYDNBDVAYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2/c1-8(12)4-2-5-9-10(13)6-3-7-11(9)14/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 2-(4-bromopentyl)-1,3-dichlorobenzene?
2-(4-bromopentyl)-1,3-dichlorobenzene has a molecular weight of 296.03 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopentyl)-1,3-dichlorobenzene is sourced from PubChem (CID 64509594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).