1-benzyl-4-bromo-2,5-dimethoxybenzene

C15H15BrO2 — CID 90014270

IUPAC1-benzyl-4-bromo-2,5-dimethoxybenzene
SMILESCOc1cc(Cc2ccccc2)c(OC)cc1Br
InChIInChI=1S/C15H15BrO2/c1-17-14-10-13(16)15(18-2)9-12(14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyLUOMWKBYUZUZFJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.06
Rot. Bonds4

About 1-benzyl-4-bromo-2,5-dimethoxybenzene

1-benzyl-4-bromo-2,5-dimethoxybenzene (PubChem CID 90014270) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-benzyl-4-bromo-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-benzyl-4-bromo-2,5-dimethoxybenzene
PubChem CID90014270
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-benzyl-4-bromo-2,5-dimethoxybenzene
SMILESCOc1cc(Cc2ccccc2)c(OC)cc1Br
InChIInChI=1S/C15H15BrO2/c1-17-14-10-13(16)15(18-2)9-12(14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyLUOMWKBYUZUZFJ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-bromo-2,5-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene
CID 10495980
4-benzyl-3-methoxyaniline
CID 22599955
1-(2,5-dibromo-4-methoxyphenoxy)-3-phenylpropan-2-one
CID 79406329
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1-benzyl-2-bromo-3,4-dimethoxybenzene
CID 10733510
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 43249092
benzylbenzene;methoxymethane
CID 161110966
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-bromo-2,5-dimethoxybenzene?
The IUPAC name of 1-benzyl-4-bromo-2,5-dimethoxybenzene (CID 90014270) is 1-benzyl-4-bromo-2,5-dimethoxybenzene.
What is the SMILES notation for 1-benzyl-4-bromo-2,5-dimethoxybenzene?
The canonical SMILES for 1-benzyl-4-bromo-2,5-dimethoxybenzene is COc1cc(Cc2ccccc2)c(OC)cc1Br.
What is the InChIKey of 1-benzyl-4-bromo-2,5-dimethoxybenzene?
The InChIKey is LUOMWKBYUZUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-17-14-10-13(16)15(18-2)9-12(14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-benzyl-4-bromo-2,5-dimethoxybenzene?
1-benzyl-4-bromo-2,5-dimethoxybenzene has a molecular weight of 307.19 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-bromo-2,5-dimethoxybenzene is sourced from PubChem (CID 90014270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).