1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene

C12H17BrO3 — CID 58005605

IUPAC1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1cc(CBr)cc(OC)c1
InChIInChI=1S/C12H17BrO3/c1-14-3-4-16-9-11-5-10(8-13)6-12(7-11)15-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyMAHUFXVVAWLMKE-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.75
Rot. Bonds7

About 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene

1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene (PubChem CID 58005605) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene
PubChem CID58005605
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1cc(CBr)cc(OC)c1
InChIInChI=1S/C12H17BrO3/c1-14-3-4-16-9-11-5-10(8-13)6-12(7-11)15-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyMAHUFXVVAWLMKE-UHFFFAOYSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560296
N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 59817672
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
1-(6-bromohexoxymethyl)-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 54771674
[3-(bromomethyl)-5-methoxyphenyl]hydrazine
CID 130837760
1-methoxy-3,5-bis(phenylmethoxymethyl)benzene
CID 22899511
1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene
CID 21060139
1-bromo-1-[3-(bromomethyl)-5-methoxyphenyl]propan-2-one
CID 131402143
2,6-dichloro-4-(2-methoxyethoxymethyl)pyridine
CID 119088450
1-(bromomethyl)-3-chloro-5-(2-methoxyethoxy)benzene
CID 129135170
2-bromo-1-methoxy-4-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179412

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene?
The IUPAC name of 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene (CID 58005605) is 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene is COCCOCc1cc(CBr)cc(OC)c1.
What is the InChIKey of 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene?
The InChIKey is MAHUFXVVAWLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-14-3-4-16-9-11-5-10(8-13)6-12(7-11)15-2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene?
1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene has a molecular weight of 289.17 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene is sourced from PubChem (CID 58005605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).