1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene

C16H24Br2O — CID 65433776

IUPAC1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
SMILESCCCCCCCC(Br)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H24Br2O/c1-4-5-6-7-8-9-14(17)13-11-15(18)12(2)10-16(13)19-3/h10-11,14H,4-9H2,1-3H3
InChIKeyGPGFQCUWCUAPIH-UHFFFAOYSA-N
MW392.18 g/mol
LogP6.56
Rot. Bonds8

About 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene

1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene (PubChem CID 65433776) has the molecular formula C16H24Br2O and a molecular weight of 392.18 g/mol. Its IUPAC name is 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
PubChem CID65433776
Molecular FormulaC16H24Br2O
Molecular Weight392.18 g/mol
Exact Mass390.02
IUPAC Name1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
SMILESCCCCCCCC(Br)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H24Br2O/c1-4-5-6-7-8-9-14(17)13-11-15(18)12(2)10-16(13)19-3/h10-11,14H,4-9H2,1-3H3
InChIKeyGPGFQCUWCUAPIH-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.18
LogP ≤ 56.56
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-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644
2-bromo-1-(1-bromononyl)-4-methoxybenzene
CID 65426591
2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
1-bromo-2-(1-bromohexyl)-4,5-diethoxybenzene
CID 63441595
1,4-dibromo-2-(1-bromobutyl)-5-methylbenzene
CID 81473463

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene?
The IUPAC name of 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene (CID 65433776) is 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene is CCCCCCCC(Br)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene?
The InChIKey is GPGFQCUWCUAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2O/c1-4-5-6-7-8-9-14(17)13-11-15(18)12(2)10-16(13)19-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene?
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene has a molecular weight of 392.18 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene is sourced from PubChem (CID 65433776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).