2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene

C15H14Br2O — CID 63534889

IUPAC2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(CBr)cc2Br)cc1
InChIInChI=1S/C15H14Br2O/c1-11-2-4-12(5-3-11)10-18-15-7-6-13(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeySBOKUKDRVWYCEN-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.23
Rot. Bonds4

About 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene

2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene (PubChem CID 63534889) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
PubChem CID63534889
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(CBr)cc2Br)cc1
InChIInChI=1S/C15H14Br2O/c1-11-2-4-12(5-3-11)10-18-15-7-6-13(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeySBOKUKDRVWYCEN-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[2-bromo-4-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63534399
2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
CID 63534722
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
4-[(2-bromo-4-methylphenoxy)methyl]benzonitrile
CID 22688388
N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126119216
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
(E)-3-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6272407
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126120045
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene (CID 63534889) is 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene is Cc1ccc(COc2ccc(CBr)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene?
The InChIKey is SBOKUKDRVWYCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c1-11-2-4-12(5-3-11)10-18-15-7-6-13(9-16)8-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene?
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene has a molecular weight of 370.08 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 63534889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).