1-benzyl-2-bromo-3,4-dimethoxybenzene

C15H15BrO2 — CID 10733510

IUPAC1-benzyl-2-bromo-3,4-dimethoxybenzene
SMILESCOc1ccc(Cc2ccccc2)c(Br)c1OC
InChIInChI=1S/C15H15BrO2/c1-17-13-9-8-12(14(16)15(13)18-2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyVRRDHDMCKQDVNV-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.06
Rot. Bonds4

About 1-benzyl-2-bromo-3,4-dimethoxybenzene

1-benzyl-2-bromo-3,4-dimethoxybenzene (PubChem CID 10733510) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-benzyl-2-bromo-3,4-dimethoxybenzene.

Molecular Properties

Compound Name1-benzyl-2-bromo-3,4-dimethoxybenzene
PubChem CID10733510
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-benzyl-2-bromo-3,4-dimethoxybenzene
SMILESCOc1ccc(Cc2ccccc2)c(Br)c1OC
InChIInChI=1S/C15H15BrO2/c1-17-13-9-8-12(14(16)15(13)18-2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyVRRDHDMCKQDVNV-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

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Related Compounds

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CID 70537049
benzylbenzene;methoxymethane
CID 161110966
1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine
CID 176513537
methyl 2-(benzylideneamino)-3-(2-bromo-3,4-dimethoxyphenyl)propanoate
CID 10386599
4-benzyl-3-methoxyaniline
CID 22599955
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-bromo-3,4-dimethoxybenzene?
The IUPAC name of 1-benzyl-2-bromo-3,4-dimethoxybenzene (CID 10733510) is 1-benzyl-2-bromo-3,4-dimethoxybenzene.
What is the SMILES notation for 1-benzyl-2-bromo-3,4-dimethoxybenzene?
The canonical SMILES for 1-benzyl-2-bromo-3,4-dimethoxybenzene is COc1ccc(Cc2ccccc2)c(Br)c1OC.
What is the InChIKey of 1-benzyl-2-bromo-3,4-dimethoxybenzene?
The InChIKey is VRRDHDMCKQDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-17-13-9-8-12(14(16)15(13)18-2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-benzyl-2-bromo-3,4-dimethoxybenzene?
1-benzyl-2-bromo-3,4-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-2-bromo-3,4-dimethoxybenzene is sourced from PubChem (CID 10733510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).