1-bromo-2-[5-(4-bromophenyl)pentyl]benzene

C17H18Br2 — CID 173152219

IUPAC1-bromo-2-[5-(4-bromophenyl)pentyl]benzene
SMILESBrc1ccc(CCCCCc2ccccc2Br)cc1
InChIInChI=1S/C17H18Br2/c18-16-12-10-14(11-13-16)6-2-1-3-7-15-8-4-5-9-17(15)19/h4-5,8-13H,1-3,6-7H2
InChIKeyDLFNAHBEEPWSNN-UHFFFAOYSA-N
MW382.14 g/mol
LogP6.17
Rot. Bonds6

About 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene

1-bromo-2-[5-(4-bromophenyl)pentyl]benzene (PubChem CID 173152219) has the molecular formula C17H18Br2 and a molecular weight of 382.14 g/mol. Its IUPAC name is 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[5-(4-bromophenyl)pentyl]benzene
PubChem CID173152219
Molecular FormulaC17H18Br2
Molecular Weight382.14 g/mol
Exact Mass379.98
IUPAC Name1-bromo-2-[5-(4-bromophenyl)pentyl]benzene
SMILESBrc1ccc(CCCCCc2ccccc2Br)cc1
InChIInChI=1S/C17H18Br2/c18-16-12-10-14(11-13-16)6-2-1-3-7-15-8-4-5-9-17(15)19/h4-5,8-13H,1-3,6-7H2
InChIKeyDLFNAHBEEPWSNN-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.14
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene?
The IUPAC name of 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene (CID 173152219) is 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene.
What is the SMILES notation for 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene?
The canonical SMILES for 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene is Brc1ccc(CCCCCc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene?
The InChIKey is DLFNAHBEEPWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2/c18-16-12-10-14(11-13-16)6-2-1-3-7-15-8-4-5-9-17(15)19/h4-5,8-13H,1-3,6-7H2.
What are the key properties of 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene?
1-bromo-2-[5-(4-bromophenyl)pentyl]benzene has a molecular weight of 382.14 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[5-(4-bromophenyl)pentyl]benzene is sourced from PubChem (CID 173152219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).