5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene

C20H25BrO6 — CID 67359347

IUPAC5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene
SMILESCOc1cc(CC(C)Oc2c(OC)cc(Br)cc2OC)cc(OC)c1OC
InChIInChI=1S/C20H25BrO6/c1-12(27-20-17(24-4)10-14(21)11-18(20)25-5)7-13-8-15(22-2)19(26-6)16(9-13)23-3/h8-12H,7H2,1-6H3
InChIKeyZEHJFCCUKFADRD-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.50
Rot. Bonds9

About 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene

5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene (PubChem CID 67359347) has the molecular formula C20H25BrO6 and a molecular weight of 441.32 g/mol. Its IUPAC name is 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene.

Molecular Properties

Compound Name5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene
PubChem CID67359347
Molecular FormulaC20H25BrO6
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene
SMILESCOc1cc(CC(C)Oc2c(OC)cc(Br)cc2OC)cc(OC)c1OC
InChIInChI=1S/C20H25BrO6/c1-12(27-20-17(24-4)10-14(21)11-18(20)25-5)7-13-8-15(22-2)19(26-6)16(9-13)23-3/h8-12H,7H2,1-6H3
InChIKeyZEHJFCCUKFADRD-UHFFFAOYSA-N
XLogP4.50
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethoxy-5-prop-1-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
CID 162885945
2-[(2S)-1-[3,5-dimethoxy-4-[(2S)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxyphenyl]propan-2-yl]oxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene
CID 163188790
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
CID 20811639
4-[(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenol
CID 162900786
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
2-(4-bromo-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 68630537
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene?
The IUPAC name of 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene (CID 67359347) is 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene.
What is the SMILES notation for 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene?
The canonical SMILES for 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene is COc1cc(CC(C)Oc2c(OC)cc(Br)cc2OC)cc(OC)c1OC.
What is the InChIKey of 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene?
The InChIKey is ZEHJFCCUKFADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrO6/c1-12(27-20-17(24-4)10-14(21)11-18(20)25-5)7-13-8-15(22-2)19(26-6)16(9-13)23-3/h8-12H,7H2,1-6H3.
What are the key properties of 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene?
5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene has a molecular weight of 441.32 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene is sourced from PubChem (CID 67359347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).