3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol

C15H12Br4O2 — CID 18504428

IUPAC3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1c(O)ccc(Br)c1Br)c1c(O)ccc(Br)c1Br
InChIInChI=1S/C15H12Br4O2/c1-15(2,11-9(20)5-3-7(16)13(11)18)12-10(21)6-4-8(17)14(12)19/h3-6,20-21H,1-2H3
InChIKeyHTFUJNKBHJLFIQ-UHFFFAOYSA-N
MW543.88 g/mol
LogP6.47
Rot. Bonds2

About 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol

3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 18504428) has the molecular formula C15H12Br4O2 and a molecular weight of 543.88 g/mol. Its IUPAC name is 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol
PubChem CID18504428
Molecular FormulaC15H12Br4O2
Molecular Weight543.88 g/mol
Exact Mass539.76
IUPAC Name3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1c(O)ccc(Br)c1Br)c1c(O)ccc(Br)c1Br
InChIInChI=1S/C15H12Br4O2/c1-15(2,11-9(20)5-3-7(16)13(11)18)12-10(21)6-4-8(17)14(12)19/h3-6,20-21H,1-2H3
InChIKeyHTFUJNKBHJLFIQ-UHFFFAOYSA-N
XLogP6.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.88
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-tert-butylbenzene-1,2-diol
CID 87961346
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol
CID 54436904
2,3-dibromo-6-hydroxybenzaldehyde
CID 87379563
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
4-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 130881753
2-(2-bromo-6-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
CID 84808818
2,3-dibromo-6-[1-(3,4-dibromo-2-hydroxyphenyl)propyl]phenol
CID 68837295
2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 130041661
1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol
CID 23054353
2,3,4-tribromophenol;1,2,3-tribromo-4-[1-(2,3,4-tribromophenoxy)ethoxy]benzene
CID 157176103
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
CID 22146399

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol (CID 18504428) is 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1c(O)ccc(Br)c1Br)c1c(O)ccc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is HTFUJNKBHJLFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br4O2/c1-15(2,11-9(20)5-3-7(16)13(11)18)12-10(21)6-4-8(17)14(12)19/h3-6,20-21H,1-2H3.
What are the key properties of 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol?
3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 543.88 g/mol, XLogP of 6.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-[2-(2,3-dibromo-6-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 18504428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).