1-bromo-4-decoxy-2-iodobenzene

C16H24BrIO — CID 122369744

IUPAC1-bromo-4-decoxy-2-iodobenzene
SMILESCCCCCCCCCCOc1ccc(Br)c(I)c1
InChIInChI=1S/C16H24BrIO/c1-2-3-4-5-6-7-8-9-12-19-14-10-11-15(17)16(18)13-14/h10-11,13H,2-9,12H2,1H3
InChIKeyGALACCFBOJEASQ-UHFFFAOYSA-N
MW439.18 g/mol
LogP6.57
Rot. Bonds10

About 1-bromo-4-decoxy-2-iodobenzene

1-bromo-4-decoxy-2-iodobenzene (PubChem CID 122369744) has the molecular formula C16H24BrIO and a molecular weight of 439.18 g/mol. Its IUPAC name is 1-bromo-4-decoxy-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-4-decoxy-2-iodobenzene
PubChem CID122369744
Molecular FormulaC16H24BrIO
Molecular Weight439.18 g/mol
Exact Mass438.01
IUPAC Name1-bromo-4-decoxy-2-iodobenzene
SMILESCCCCCCCCCCOc1ccc(Br)c(I)c1
InChIInChI=1S/C16H24BrIO/c1-2-3-4-5-6-7-8-9-12-19-14-10-11-15(17)16(18)13-14/h10-11,13H,2-9,12H2,1H3
InChIKeyGALACCFBOJEASQ-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.18
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-iodo-4-octoxybenzene
CID 170320644
1,4-didecoxybenzene;1,4-didecoxy-2-iodobenzene
CID 161204847
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-bromo-5-hexoxybenzoyl chloride
CID 142644449
1,4-dipentoxybenzene
CID 18314717
2-bromo-4-hexoxybenzonitrile
CID 107276962
1-bromo-4-butoxy-2-methoxybenzene
CID 90315981
1,3-dihexadecoxybenzene
CID 12686834
2-methyl-4-nonoxyaniline
CID 43128997
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-decoxy-2-iodobenzene?
The IUPAC name of 1-bromo-4-decoxy-2-iodobenzene (CID 122369744) is 1-bromo-4-decoxy-2-iodobenzene.
What is the SMILES notation for 1-bromo-4-decoxy-2-iodobenzene?
The canonical SMILES for 1-bromo-4-decoxy-2-iodobenzene is CCCCCCCCCCOc1ccc(Br)c(I)c1.
What is the InChIKey of 1-bromo-4-decoxy-2-iodobenzene?
The InChIKey is GALACCFBOJEASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrIO/c1-2-3-4-5-6-7-8-9-12-19-14-10-11-15(17)16(18)13-14/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 1-bromo-4-decoxy-2-iodobenzene?
1-bromo-4-decoxy-2-iodobenzene has a molecular weight of 439.18 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-decoxy-2-iodobenzene is sourced from PubChem (CID 122369744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).