1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene

C12H17BrO4 — CID 102273411

IUPAC1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
SMILESCOCCOCOCc1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrO4/c1-14-5-6-16-9-17-8-10-7-11(15-2)3-4-12(10)13/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyCGMWQAJSNIVNIU-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.59
Rot. Bonds8

About 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene

1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene (PubChem CID 102273411) has the molecular formula C12H17BrO4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
PubChem CID102273411
Molecular FormulaC12H17BrO4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
SMILESCOCCOCOCc1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrO4/c1-14-5-6-16-9-17-8-10-7-11(15-2)3-4-12(10)13/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyCGMWQAJSNIVNIU-UHFFFAOYSA-N
XLogP2.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
CID 11845573
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741569
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene?
The IUPAC name of 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene (CID 102273411) is 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene is COCCOCOCc1cc(OC)ccc1Br.
What is the InChIKey of 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene?
The InChIKey is CGMWQAJSNIVNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO4/c1-14-5-6-16-9-17-8-10-7-11(15-2)3-4-12(10)13/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene?
1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene has a molecular weight of 305.17 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene is sourced from PubChem (CID 102273411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).