[3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol

C18H19Br3O5 — CID 46863469

IUPAC[3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(Cc2c(CO)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC
InChIInChI=1S/C18H19Br3O5/c1-23-12-6-9(14(19)16(21)18(12)26-4)5-11-10(8-22)7-13(24-2)17(25-3)15(11)20/h6-7,22H,5,8H2,1-4H3
InChIKeyMWCCDVQIFYQUST-UHFFFAOYSA-N
MW555.06 g/mol
LogP5.09
Rot. Bonds7

About [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol

[3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol (PubChem CID 46863469) has the molecular formula C18H19Br3O5 and a molecular weight of 555.06 g/mol. Its IUPAC name is [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol
PubChem CID46863469
Molecular FormulaC18H19Br3O5
Molecular Weight555.06 g/mol
Exact Mass551.88
IUPAC Name[3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(Cc2c(CO)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC
InChIInChI=1S/C18H19Br3O5/c1-23-12-6-9(14(19)16(21)18(12)26-4)5-11-10(8-22)7-13(24-2)17(25-3)15(11)20/h6-7,22H,5,8H2,1-4H3
InChIKeyMWCCDVQIFYQUST-UHFFFAOYSA-N
XLogP5.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.06
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(2,3-dibromo-4,5-dihydroxybenzyl) ether
CID 10053921
CID 53371736
CID 53371736
3-Bromo-4-(2,3-dibromo-4,5-dihydroxybenzyl)-5-methoxymethyl-pyrocatechol
CID 10324137
2,2',3-Tribromo-3',4,4',5-tetrahydroxy-6'-ethyloxymethyldiphenylmethane
CID 10995003
(2,3,6-Tribromo-4,5-dimethoxyphenyl)methanol
CID 57397664
6-(2,3-Dibromo-4,5-dihydroxybenzyl)-2,3-dibromo-4,5-dihydroxy benzyl methyl ether
CID 11273349
1,8-Dibromo-5,7-dihydrodibenzo[c,e]oxepine-2,3,9,10-tetraol
CID 24761045
3,4-Dibromo-5-(methoxymethyl)benzene-1,2-diol
CID 316020
3,4-Dibromo-5-[2-bromo-3,4-dihydroxy-6-(hydroxymethyl)benzyl]benzene-1,2-diol
CID 637298
(2-Bromo-4,5-dimethoxyphenyl)methanol
CID 618887
1,1'-Biphenyl, 2,2'-dibromo-4,4',5,5'-tetramethoxy-
CID 5063692
2-[(3-Bromo-4,5-dimethoxyphenyl)methyl]cyclohexan-1-ol
CID 57334711

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol?
The IUPAC name of [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol (CID 46863469) is [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol.
What is the SMILES notation for [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol?
The canonical SMILES for [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol is COc1cc(Cc2c(CO)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC.
What is the InChIKey of [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol?
The InChIKey is MWCCDVQIFYQUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br3O5/c1-23-12-6-9(14(19)16(21)18(12)26-4)5-11-10(8-22)7-13(24-2)17(25-3)15(11)20/h6-7,22H,5,8H2,1-4H3.
What are the key properties of [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol?
[3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol has a molecular weight of 555.06 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol is sourced from PubChem (CID 46863469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).