1-bromo-2-(butoxymethoxy)benzene

C11H15BrO2 — CID 15093582

IUPAC1-bromo-2-(butoxymethoxy)benzene
SMILESCCCCOCOc1ccccc1Br
InChIInChI=1S/C11H15BrO2/c1-2-3-8-13-9-14-11-7-5-4-6-10(11)12/h4-7H,2-3,8-9H2,1H3
InChIKeyUAPWXYLZBDJTEZ-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.60
Rot. Bonds6

About 1-bromo-2-(butoxymethoxy)benzene

1-bromo-2-(butoxymethoxy)benzene (PubChem CID 15093582) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-bromo-2-(butoxymethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(butoxymethoxy)benzene
PubChem CID15093582
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-bromo-2-(butoxymethoxy)benzene
SMILESCCCCOCOc1ccccc1Br
InChIInChI=1S/C11H15BrO2/c1-2-3-8-13-9-14-11-7-5-4-6-10(11)12/h4-7H,2-3,8-9H2,1H3
InChIKeyUAPWXYLZBDJTEZ-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
CID 2288878
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1-bromo-3-butoxy-2-methylbenzene
CID 148580780
(2-bromophenyl) dibutyl phosphite
CID 134288649
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
nonoxymethoxybenzene
CID 151123684
hexatriacontoxymethoxybenzene
CID 21131247

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(butoxymethoxy)benzene?
The IUPAC name of 1-bromo-2-(butoxymethoxy)benzene (CID 15093582) is 1-bromo-2-(butoxymethoxy)benzene.
What is the SMILES notation for 1-bromo-2-(butoxymethoxy)benzene?
The canonical SMILES for 1-bromo-2-(butoxymethoxy)benzene is CCCCOCOc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(butoxymethoxy)benzene?
The InChIKey is UAPWXYLZBDJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-2-3-8-13-9-14-11-7-5-4-6-10(11)12/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-bromo-2-(butoxymethoxy)benzene?
1-bromo-2-(butoxymethoxy)benzene has a molecular weight of 259.14 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(butoxymethoxy)benzene is sourced from PubChem (CID 15093582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).