1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene

C17H19BrO4 — CID 11760338

IUPAC1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1ccc(Cc2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C17H19BrO4/c1-19-14-6-5-11(8-15(14)20-2)7-12-9-16(21-3)17(22-4)10-13(12)18/h5-6,8-10H,7H2,1-4H3
InChIKeyDGZIXGIHSNMSRZ-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.07
Rot. Bonds6

About 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene

1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene (PubChem CID 11760338) has the molecular formula C17H19BrO4 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene
PubChem CID11760338
Molecular FormulaC17H19BrO4
Molecular Weight367.24 g/mol
Exact Mass366.05
IUPAC Name1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1ccc(Cc2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C17H19BrO4/c1-19-14-6-5-11(8-15(14)20-2)7-12-9-16(21-3)17(22-4)10-13(12)18/h5-6,8-10H,7H2,1-4H3
InChIKeyDGZIXGIHSNMSRZ-UHFFFAOYSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene (CID 11760338) is 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene is COc1ccc(Cc2cc(OC)c(OC)cc2Br)cc1OC.
What is the InChIKey of 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene?
The InChIKey is DGZIXGIHSNMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO4/c1-19-14-6-5-11(8-15(14)20-2)7-12-9-16(21-3)17(22-4)10-13(12)18/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene?
1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene has a molecular weight of 367.24 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 11760338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).