2-bromo-4-(1-bromodecyl)-1-methoxybenzene

C17H26Br2O — CID 65426016

IUPAC2-bromo-4-(1-bromodecyl)-1-methoxybenzene
SMILESCCCCCCCCCC(Br)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H26Br2O/c1-3-4-5-6-7-8-9-10-15(18)14-11-12-17(20-2)16(19)13-14/h11-13,15H,3-10H2,1-2H3
InChIKeyPVBXSMWPQAWVTJ-UHFFFAOYSA-N
MW406.20 g/mol
LogP7.03
Rot. Bonds10

About 2-bromo-4-(1-bromodecyl)-1-methoxybenzene

2-bromo-4-(1-bromodecyl)-1-methoxybenzene (PubChem CID 65426016) has the molecular formula C17H26Br2O and a molecular weight of 406.20 g/mol. Its IUPAC name is 2-bromo-4-(1-bromodecyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromodecyl)-1-methoxybenzene
PubChem CID65426016
Molecular FormulaC17H26Br2O
Molecular Weight406.20 g/mol
Exact Mass404.04
IUPAC Name2-bromo-4-(1-bromodecyl)-1-methoxybenzene
SMILESCCCCCCCCCC(Br)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H26Br2O/c1-3-4-5-6-7-8-9-10-15(18)14-11-12-17(20-2)16(19)13-14/h11-13,15H,3-10H2,1-2H3
InChIKeyPVBXSMWPQAWVTJ-UHFFFAOYSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.20
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(1-bromodecyl)-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(1-bromoheptyl)-1-ethoxybenzene
CID 114753725
2-bromo-4-(1-bromononyl)-1-propoxybenzene
CID 104662164
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425
2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
CID 104662326
1-(3-bromo-4-methoxyphenyl)nonan-2-amine
CID 115818004
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
1-(3-bromo-4-methoxyphenyl)undecan-2-ol
CID 115779355
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromodecyl)-1-methoxybenzene?
The IUPAC name of 2-bromo-4-(1-bromodecyl)-1-methoxybenzene (CID 65426016) is 2-bromo-4-(1-bromodecyl)-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-(1-bromodecyl)-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-(1-bromodecyl)-1-methoxybenzene is CCCCCCCCCC(Br)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-bromo-4-(1-bromodecyl)-1-methoxybenzene?
The InChIKey is PVBXSMWPQAWVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Br2O/c1-3-4-5-6-7-8-9-10-15(18)14-11-12-17(20-2)16(19)13-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-bromo-4-(1-bromodecyl)-1-methoxybenzene?
2-bromo-4-(1-bromodecyl)-1-methoxybenzene has a molecular weight of 406.20 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromodecyl)-1-methoxybenzene is sourced from PubChem (CID 65426016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).