2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol

C16H16Br2O2 — CID 134109781

IUPAC2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(C(C)c2cc(C)cc(Br)c2O)c1
InChIInChI=1S/C16H16Br2O2/c1-8-4-11(15(19)13(17)6-8)10(3)12-5-9(2)7-14(18)16(12)20/h4-7,10,19-20H,1-3H3
InChIKeyLRPASZUVQLHUJC-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.39
Rot. Bonds2

About 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol

2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol (PubChem CID 134109781) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
PubChem CID134109781
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
SMILESCc1cc(Br)c(O)c(C(C)c2cc(C)cc(Br)c2O)c1
InChIInChI=1S/C16H16Br2O2/c1-8-4-11(15(19)13(17)6-8)10(3)12-5-9(2)7-14(18)16(12)20/h4-7,10,19-20H,1-3H3
InChIKeyLRPASZUVQLHUJC-UHFFFAOYSA-N
XLogP5.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
CID 83901747
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 66868185
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226
2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol
CID 90998864
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
CID 130783623
N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The IUPAC name of 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol (CID 134109781) is 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol.
What is the SMILES notation for 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The canonical SMILES for 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol is Cc1cc(Br)c(O)c(C(C)c2cc(C)cc(Br)c2O)c1.
What is the InChIKey of 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
The InChIKey is LRPASZUVQLHUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-8-4-11(15(19)13(17)6-8)10(3)12-5-9(2)7-14(18)16(12)20/h4-7,10,19-20H,1-3H3.
What are the key properties of 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol?
2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol has a molecular weight of 400.11 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol is sourced from PubChem (CID 134109781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).