1-bromo-4-butoxy-2-methoxybenzene

C11H15BrO2 — CID 90315981

IUPAC1-bromo-4-butoxy-2-methoxybenzene
SMILESCCCCOc1ccc(Br)c(OC)c1
InChIInChI=1S/C11H15BrO2/c1-3-4-7-14-9-5-6-10(12)11(8-9)13-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZJYSUDRXOCRYDO-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.64
Rot. Bonds5

About 1-bromo-4-butoxy-2-methoxybenzene

1-bromo-4-butoxy-2-methoxybenzene (PubChem CID 90315981) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-bromo-4-butoxy-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-butoxy-2-methoxybenzene
PubChem CID90315981
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-bromo-4-butoxy-2-methoxybenzene
SMILESCCCCOc1ccc(Br)c(OC)c1
InChIInChI=1S/C11H15BrO2/c1-3-4-7-14-9-5-6-10(12)11(8-9)13-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZJYSUDRXOCRYDO-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-bromo-2-iodo-4-octoxybenzene
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1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
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CID 122369744
1-bromo-4-butoxy-6-methoxy-7-(4-methoxyphenyl)naphthalene
CID 121321443
2-methoxy-5-octoxyaniline
CID 103201140
methyl 2-bromo-4,6-dibutoxybenzoate
CID 70859460
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644
1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene
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2-bromo-4-hexoxybenzonitrile
CID 107276962

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-butoxy-2-methoxybenzene?
The IUPAC name of 1-bromo-4-butoxy-2-methoxybenzene (CID 90315981) is 1-bromo-4-butoxy-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-butoxy-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-butoxy-2-methoxybenzene is CCCCOc1ccc(Br)c(OC)c1.
What is the InChIKey of 1-bromo-4-butoxy-2-methoxybenzene?
The InChIKey is ZJYSUDRXOCRYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-3-4-7-14-9-5-6-10(12)11(8-9)13-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-bromo-4-butoxy-2-methoxybenzene?
1-bromo-4-butoxy-2-methoxybenzene has a molecular weight of 259.14 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-butoxy-2-methoxybenzene is sourced from PubChem (CID 90315981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).