bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene

C15H16Br2O — CID 70390972

IUPACbromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
SMILESBrCc1ccccc1.COc1ccc(CBr)cc1
InChIInChI=1S/C8H9BrO.C7H7Br/c1-10-8-4-2-7(6-9)3-5-8;8-6-7-4-2-1-3-5-7/h2-5H,6H2,1H3;1-5H,6H2
InChIKeyCHVYSUAIWGXBOF-UHFFFAOYSA-N
MW372.10 g/mol
LogP5.17
Rot. Bonds3

About bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene

bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene (PubChem CID 70390972) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene.

Molecular Properties

Compound Namebromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
PubChem CID70390972
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Namebromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
SMILESBrCc1ccccc1.COc1ccc(CBr)cc1
InChIInChI=1S/C8H9BrO.C7H7Br/c1-10-8-4-2-7(6-9)3-5-8;8-6-7-4-2-1-3-5-7/h2-5H,6H2,1H3;1-5H,6H2
InChIKeyCHVYSUAIWGXBOF-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.10
LogP ≤ 55.17
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-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-(bromomethyl)-4-(2-methoxyphenoxy)benzene
CID 107087191
1-(bromomethyl)-4-ethylbenzene;ethylbenzene
CID 157176611
bromomethylbenzene;methyl formate
CID 170165460
benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
CID 100953226
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
[4-(bromomethyl)phenyl]methyl-tris(4-methoxyphenyl)phosphanium bromide
CID 23631361
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531

Frequently Asked Questions

What is the IUPAC name of bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene?
The IUPAC name of bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene (CID 70390972) is bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene.
What is the SMILES notation for bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene?
The canonical SMILES for bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene is BrCc1ccccc1.COc1ccc(CBr)cc1.
What is the InChIKey of bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene?
The InChIKey is CHVYSUAIWGXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO.C7H7Br/c1-10-8-4-2-7(6-9)3-5-8;8-6-7-4-2-1-3-5-7/h2-5H,6H2,1H3;1-5H,6H2.
What are the key properties of bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene?
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene has a molecular weight of 372.10 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene is sourced from PubChem (CID 70390972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).