2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene

C15H22Br2O — CID 104662044

IUPAC2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene
SMILESCCCOc1ccc(C(Br)C(C)CCC)cc1Br
InChIInChI=1S/C15H22Br2O/c1-4-6-11(3)15(17)12-7-8-14(13(16)10-12)18-9-5-2/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyUSOSZHQJSOQVNH-UHFFFAOYSA-N
MW378.15 g/mol
LogP6.11
Rot. Bonds7

About 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene

2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene (PubChem CID 104662044) has the molecular formula C15H22Br2O and a molecular weight of 378.15 g/mol. Its IUPAC name is 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene
PubChem CID104662044
Molecular FormulaC15H22Br2O
Molecular Weight378.15 g/mol
Exact Mass376.00
IUPAC Name2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene
SMILESCCCOc1ccc(C(Br)C(C)CCC)cc1Br
InChIInChI=1S/C15H22Br2O/c1-4-6-11(3)15(17)12-7-8-14(13(16)10-12)18-9-5-2/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyUSOSZHQJSOQVNH-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.15
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-bromo-2-methylpentyl)-1,2-dipropoxybenzene
CID 63440249
2-bromo-4-[bromo-(4-iodophenyl)methyl]-1-propoxybenzene
CID 104662149
2-bromo-4-(1-bromononyl)-1-propoxybenzene
CID 104662164
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
2-bromo-4-[bromo(cyclopropyl)methyl]-1-propoxybenzene
CID 104662081
1-(3-bromo-4-propoxyphenyl)-3-methylbutan-1-amine
CID 113438084
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
CID 63436190
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219
1-bromo-4-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2-methylbenzene
CID 104661898
3-[bromo-(3-bromo-4-propoxyphenyl)methyl]-2,4,5-trimethylfuran
CID 104662177
2-[bromo-(3-bromo-4-propoxyphenyl)methyl]-5-methylthiophene
CID 104662068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene?
The IUPAC name of 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene (CID 104662044) is 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene.
What is the SMILES notation for 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene?
The canonical SMILES for 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene is CCCOc1ccc(C(Br)C(C)CCC)cc1Br.
What is the InChIKey of 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene?
The InChIKey is USOSZHQJSOQVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2O/c1-4-6-11(3)15(17)12-7-8-14(13(16)10-12)18-9-5-2/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene?
2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene has a molecular weight of 378.15 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromo-2-methylpentyl)-1-propoxybenzene is sourced from PubChem (CID 104662044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).