1-bromo-2-(2-methoxyethoxymethoxy)benzene

C10H13BrO3 — CID 16655302

IUPAC1-bromo-2-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1ccccc1Br
InChIInChI=1S/C10H13BrO3/c1-12-6-7-13-8-14-10-5-3-2-4-9(10)11/h2-5H,6-8H2,1H3
InChIKeyDWORXJXXKIODGI-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.45
Rot. Bonds6

About 1-bromo-2-(2-methoxyethoxymethoxy)benzene

1-bromo-2-(2-methoxyethoxymethoxy)benzene (PubChem CID 16655302) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-bromo-2-(2-methoxyethoxymethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(2-methoxyethoxymethoxy)benzene
PubChem CID16655302
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name1-bromo-2-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1ccccc1Br
InChIInChI=1S/C10H13BrO3/c1-12-6-7-13-8-14-10-5-3-2-4-9(10)11/h2-5H,6-8H2,1H3
InChIKeyDWORXJXXKIODGI-UHFFFAOYSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methoxymethoxy)benzene;ethane
CID 91232598
1-bromo-2-(butoxymethoxy)benzene
CID 15093582
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861
1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
CID 54272743
2-[2-(2-bromophenoxy)ethoxymethoxy]ethyl-trimethylsilane
CID 171066438
2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene
CID 86718605
N-[2-[2-(2-bromophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2869779
2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
CID 112777986
1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731
1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
CID 54400320
2-[(2-bromophenoxy)methyl]-4-methoxybutanoic acid
CID 117237009
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-methoxyethoxymethoxy)benzene?
The IUPAC name of 1-bromo-2-(2-methoxyethoxymethoxy)benzene (CID 16655302) is 1-bromo-2-(2-methoxyethoxymethoxy)benzene.
What is the SMILES notation for 1-bromo-2-(2-methoxyethoxymethoxy)benzene?
The canonical SMILES for 1-bromo-2-(2-methoxyethoxymethoxy)benzene is COCCOCOc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-methoxyethoxymethoxy)benzene?
The InChIKey is DWORXJXXKIODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-12-6-7-13-8-14-10-5-3-2-4-9(10)11/h2-5H,6-8H2,1H3.
What are the key properties of 1-bromo-2-(2-methoxyethoxymethoxy)benzene?
1-bromo-2-(2-methoxyethoxymethoxy)benzene has a molecular weight of 261.11 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methoxyethoxymethoxy)benzene is sourced from PubChem (CID 16655302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).