(4-bromo-5-methoxypentoxy)benzene

C12H17BrO2 — CID 62320030

IUPAC(4-bromo-5-methoxypentoxy)benzene
SMILESCOCC(Br)CCCOc1ccccc1
InChIInChI=1S/C12H17BrO2/c1-14-10-11(13)6-5-9-15-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyZWMGBSPMMKVAGE-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.26
Rot. Bonds7

About (4-bromo-5-methoxypentoxy)benzene

(4-bromo-5-methoxypentoxy)benzene (PubChem CID 62320030) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is (4-bromo-5-methoxypentoxy)benzene.

Molecular Properties

Compound Name(4-bromo-5-methoxypentoxy)benzene
PubChem CID62320030
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name(4-bromo-5-methoxypentoxy)benzene
SMILESCOCC(Br)CCCOc1ccccc1
InChIInChI=1S/C12H17BrO2/c1-14-10-11(13)6-5-9-15-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyZWMGBSPMMKVAGE-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5,6-dibromohexoxybenzene
CID 91189511
2-bromo-3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 80690277
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
CID 114163410
2,5-dibromohexoxybenzene
CID 173161444
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
CID 107506641
10-methyldodecoxybenzene
CID 143389992
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809
(2-bromo-3-fluoropropoxy)benzene
CID 101027846
(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium
CID 155656966
3-propan-2-ylsulfanylpropoxybenzene
CID 30619859

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methoxypentoxy)benzene?
The IUPAC name of (4-bromo-5-methoxypentoxy)benzene (CID 62320030) is (4-bromo-5-methoxypentoxy)benzene.
What is the SMILES notation for (4-bromo-5-methoxypentoxy)benzene?
The canonical SMILES for (4-bromo-5-methoxypentoxy)benzene is COCC(Br)CCCOc1ccccc1.
What is the InChIKey of (4-bromo-5-methoxypentoxy)benzene?
The InChIKey is ZWMGBSPMMKVAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-14-10-11(13)6-5-9-15-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of (4-bromo-5-methoxypentoxy)benzene?
(4-bromo-5-methoxypentoxy)benzene has a molecular weight of 273.17 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methoxypentoxy)benzene is sourced from PubChem (CID 62320030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).