4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene

C12H16BrClO2 — CID 62319479

IUPAC4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
SMILESCOCC(Cl)CCc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrClO2/c1-15-8-11(14)5-3-9-7-10(13)4-6-12(9)16-2/h4,6-7,11H,3,5,8H2,1-2H3
InChIKeyAIXGKBIJAPNAPM-UHFFFAOYSA-N
MW307.62 g/mol
LogP3.64
Rot. Bonds6

About 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene

4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene (PubChem CID 62319479) has the molecular formula C12H16BrClO2 and a molecular weight of 307.62 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
PubChem CID62319479
Molecular FormulaC12H16BrClO2
Molecular Weight307.62 g/mol
Exact Mass306.00
IUPAC Name4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
SMILESCOCC(Cl)CCc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrClO2/c1-15-8-11(14)5-3-9-7-10(13)4-6-12(9)16-2/h4,6-7,11H,3,5,8H2,1-2H3
InChIKeyAIXGKBIJAPNAPM-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460540
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
4-bromo-1-(3-chloro-4-methoxybutyl)-2-nitrobenzene
CID 114382451
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154
1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
CID 63399896
2-(3-chloro-4-methoxybutyl)-4-fluoro-1-methylbenzene
CID 105374733
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene
CID 64507200
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene (CID 62319479) is 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene is COCC(Cl)CCc1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene?
The InChIKey is AIXGKBIJAPNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO2/c1-15-8-11(14)5-3-9-7-10(13)4-6-12(9)16-2/h4,6-7,11H,3,5,8H2,1-2H3.
What are the key properties of 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene?
4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene has a molecular weight of 307.62 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene is sourced from PubChem (CID 62319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).