6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol

C14H12Br2O4 — CID 101087040

IUPAC6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
SMILESCOc1ccc(Br)c(O)c1-c1c(OC)ccc(Br)c1O
InChIInChI=1S/C14H12Br2O4/c1-19-9-5-3-7(15)13(17)11(9)12-10(20-2)6-4-8(16)14(12)18/h3-6,17-18H,1-2H3
InChIKeyXQXGJADKQCVIHR-UHFFFAOYSA-N
MW404.05 g/mol
LogP4.31
Rot. Bonds3

About 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol

6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol (PubChem CID 101087040) has the molecular formula C14H12Br2O4 and a molecular weight of 404.05 g/mol. Its IUPAC name is 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol.

Molecular Properties

Compound Name6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
PubChem CID101087040
Molecular FormulaC14H12Br2O4
Molecular Weight404.05 g/mol
Exact Mass401.91
IUPAC Name6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
SMILESCOc1ccc(Br)c(O)c1-c1c(OC)ccc(Br)c1O
InChIInChI=1S/C14H12Br2O4/c1-19-9-5-3-7(15)13(17)11(9)12-10(20-2)6-4-8(16)14(12)18/h3-6,17-18H,1-2H3
InChIKeyXQXGJADKQCVIHR-UHFFFAOYSA-N
XLogP4.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-bromo-2-hydroxy-6-methoxybenzoate
CID 170993430
2-[(2S)-azetidin-2-yl]-3-bromo-6-methoxyphenol
CID 130859989
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
2-bromo-4-methoxy-3-methylphenol
CID 54571766
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
2-[(1R)-1-amino-2,2-difluoroethyl]-3-bromo-6-methoxyphenol
CID 131561211
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol
CID 171049127
3-bromo-5-methoxy-1-benzothiophen-4-ol
CID 131034350
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol?
The IUPAC name of 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol (CID 101087040) is 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol.
What is the SMILES notation for 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol?
The canonical SMILES for 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol is COc1ccc(Br)c(O)c1-c1c(OC)ccc(Br)c1O.
What is the InChIKey of 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol?
The InChIKey is XQXGJADKQCVIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O4/c1-19-9-5-3-7(15)13(17)11(9)12-10(20-2)6-4-8(16)14(12)18/h3-6,17-18H,1-2H3.
What are the key properties of 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol?
6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol has a molecular weight of 404.05 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol is sourced from PubChem (CID 101087040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).