2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol

C15H14Br2O2 — CID 23386525

IUPAC2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(Cc2cc(C)cc(Br)c2O)c1
InChIInChI=1S/C15H14Br2O2/c1-8-3-10(14(18)12(16)5-8)7-11-4-9(2)6-13(17)15(11)19/h3-6,18-19H,7H2,1-2H3
InChIKeyAFDOZAAFJVLBTI-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.83
Rot. Bonds2

About 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol

2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol (PubChem CID 23386525) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
PubChem CID23386525
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(Cc2cc(C)cc(Br)c2O)c1
InChIInChI=1S/C15H14Br2O2/c1-8-3-10(14(18)12(16)5-8)7-11-4-9(2)6-13(17)15(11)19/h3-6,18-19H,7H2,1-2H3
InChIKeyAFDOZAAFJVLBTI-UHFFFAOYSA-N
XLogP4.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-hydroxy-5-methylphenyl)propanal
CID 166772839
2-bromo-6-[[3-[(3-bromo-2-hydroxy-5-methylphenyl)methylamino]propylamino]methyl]-4-methylphenol
CID 135362270
2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2,6-bis[[5-(aminomethyl)-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-4-methylphenol
CID 151086831
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 134109781
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The IUPAC name of 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol (CID 23386525) is 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol is Cc1cc(Br)c(O)c(Cc2cc(C)cc(Br)c2O)c1.
What is the InChIKey of 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The InChIKey is AFDOZAAFJVLBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-8-3-10(14(18)12(16)5-8)7-11-4-9(2)6-13(17)15(11)19/h3-6,18-19H,7H2,1-2H3.
What are the key properties of 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol has a molecular weight of 386.08 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 23386525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).