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

C16H24BrClO — CID 104546445

IUPAC2-(1-bromononyl)-4-chloro-1-methoxybenzene
SMILESCCCCCCCCC(Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24BrClO/c1-3-4-5-6-7-8-9-15(17)14-12-13(18)10-11-16(14)19-2/h10-12,15H,3-9H2,1-2H3
InChIKeyIXZVMCTWYVEPRZ-UHFFFAOYSA-N
MW347.72 g/mol
LogP6.54
Rot. Bonds9

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

2-(1-bromononyl)-4-chloro-1-methoxybenzene (PubChem CID 104546445) has the molecular formula C16H24BrClO and a molecular weight of 347.72 g/mol. Its IUPAC name is 2-(1-bromononyl)-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-(1-bromononyl)-4-chloro-1-methoxybenzene
PubChem CID104546445
Molecular FormulaC16H24BrClO
Molecular Weight347.72 g/mol
Exact Mass346.07
IUPAC Name2-(1-bromononyl)-4-chloro-1-methoxybenzene
SMILESCCCCCCCCC(Br)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24BrClO/c1-3-4-5-6-7-8-9-15(17)14-12-13(18)10-11-16(14)19-2/h10-12,15H,3-9H2,1-2H3
InChIKeyIXZVMCTWYVEPRZ-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.72
LogP ≤ 56.54
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

2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
CID 65190622
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
(1R)-1-(5-chloro-2-methoxyphenyl)-2-(dioctylamino)ethanol
CID 98529562
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
2-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-4-chloro-1-methoxybenzene
CID 103211396
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromononyl)-4-chloro-1-methoxybenzene?
The IUPAC name of 2-(1-bromononyl)-4-chloro-1-methoxybenzene (CID 104546445) is 2-(1-bromononyl)-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-(1-bromononyl)-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-(1-bromononyl)-4-chloro-1-methoxybenzene is CCCCCCCCC(Br)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(1-bromononyl)-4-chloro-1-methoxybenzene?
The InChIKey is IXZVMCTWYVEPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClO/c1-3-4-5-6-7-8-9-15(17)14-12-13(18)10-11-16(14)19-2/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-(1-bromononyl)-4-chloro-1-methoxybenzene?
2-(1-bromononyl)-4-chloro-1-methoxybenzene has a molecular weight of 347.72 g/mol, XLogP of 6.54, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromononyl)-4-chloro-1-methoxybenzene is sourced from PubChem (CID 104546445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).