1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene

C15H15BrO2 — CID 171383282

IUPAC1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene
SMILESCOCOc1cc(-c2ccccc2C)ccc1Br
InChIInChI=1S/C15H15BrO2/c1-11-5-3-4-6-13(11)12-7-8-14(16)15(9-12)18-10-17-2/h3-9H,10H2,1-2H3
InChIKeyIGINUUPJXJPGLN-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.41
Rot. Bonds4

About 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene

1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene (PubChem CID 171383282) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene
PubChem CID171383282
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene
SMILESCOCOc1cc(-c2ccccc2C)ccc1Br
InChIInChI=1S/C15H15BrO2/c1-11-5-3-4-6-13(11)12-7-8-14(16)15(9-12)18-10-17-2/h3-9H,10H2,1-2H3
InChIKeyIGINUUPJXJPGLN-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene?
The IUPAC name of 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene (CID 171383282) is 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene?
The canonical SMILES for 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene is COCOc1cc(-c2ccccc2C)ccc1Br.
What is the InChIKey of 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene?
The InChIKey is IGINUUPJXJPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-11-5-3-4-6-13(11)12-7-8-14(16)15(9-12)18-10-17-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene?
1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene has a molecular weight of 307.19 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(methoxymethoxy)-4-(2-methylphenyl)benzene is sourced from PubChem (CID 171383282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).