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

C16H24Br2O — CID 65426591

IUPAC2-bromo-1-(1-bromononyl)-4-methoxybenzene
SMILESCCCCCCCCC(Br)c1ccc(OC)cc1Br
InChIInChI=1S/C16H24Br2O/c1-3-4-5-6-7-8-9-15(17)14-11-10-13(19-2)12-16(14)18/h10-12,15H,3-9H2,1-2H3
InChIKeyMAYTVAOFEXEYBJ-UHFFFAOYSA-N
MW392.18 g/mol
LogP6.64
Rot. Bonds9

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

2-bromo-1-(1-bromononyl)-4-methoxybenzene (PubChem CID 65426591) has the molecular formula C16H24Br2O and a molecular weight of 392.18 g/mol. Its IUPAC name is 2-bromo-1-(1-bromononyl)-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(1-bromononyl)-4-methoxybenzene
PubChem CID65426591
Molecular FormulaC16H24Br2O
Molecular Weight392.18 g/mol
Exact Mass390.02
IUPAC Name2-bromo-1-(1-bromononyl)-4-methoxybenzene
SMILESCCCCCCCCC(Br)c1ccc(OC)cc1Br
InChIInChI=1S/C16H24Br2O/c1-3-4-5-6-7-8-9-15(17)14-11-10-13(19-2)12-16(14)18/h10-12,15H,3-9H2,1-2H3
InChIKeyMAYTVAOFEXEYBJ-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.18
LogP ≤ 56.64
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'}

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Related Compounds

1-(2-bromo-4-methoxyphenyl)octan-1-ol
CID 55199625
1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
2-(1-bromooctyl)-1,3,5-trimethoxybenzene
CID 63438336
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(1-bromononyl)-4-methoxybenzene?
The IUPAC name of 2-bromo-1-(1-bromononyl)-4-methoxybenzene (CID 65426591) is 2-bromo-1-(1-bromononyl)-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(1-bromononyl)-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-(1-bromononyl)-4-methoxybenzene is CCCCCCCCC(Br)c1ccc(OC)cc1Br.
What is the InChIKey of 2-bromo-1-(1-bromononyl)-4-methoxybenzene?
The InChIKey is MAYTVAOFEXEYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2O/c1-3-4-5-6-7-8-9-15(17)14-11-10-13(19-2)12-16(14)18/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-bromo-1-(1-bromononyl)-4-methoxybenzene?
2-bromo-1-(1-bromononyl)-4-methoxybenzene has a molecular weight of 392.18 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(1-bromononyl)-4-methoxybenzene is sourced from PubChem (CID 65426591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).