2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol

C15H12Br2Cl2O2 — CID 14299720

IUPAC2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol
SMILESCC(C)(c1cc(Cl)c(O)c(Br)c1)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2Cl2O2/c1-15(2,7-3-9(16)13(20)11(18)5-7)8-4-10(17)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKeyVPBCUWACUJDUSL-UHFFFAOYSA-N
MW454.97 g/mol
LogP6.26
Rot. Bonds2

About 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol

2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol (PubChem CID 14299720) has the molecular formula C15H12Br2Cl2O2 and a molecular weight of 454.97 g/mol. Its IUPAC name is 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol.

Molecular Properties

Compound Name2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol
PubChem CID14299720
Molecular FormulaC15H12Br2Cl2O2
Molecular Weight454.97 g/mol
Exact Mass451.86
IUPAC Name2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol
SMILESCC(C)(c1cc(Cl)c(O)c(Br)c1)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2Cl2O2/c1-15(2,7-3-9(16)13(20)11(18)5-7)8-4-10(17)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKeyVPBCUWACUJDUSL-UHFFFAOYSA-N
XLogP6.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.97
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol?
The IUPAC name of 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol (CID 14299720) is 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol.
What is the SMILES notation for 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol?
The canonical SMILES for 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol is CC(C)(c1cc(Cl)c(O)c(Br)c1)c1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol?
The InChIKey is VPBCUWACUJDUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O2/c1-15(2,7-3-9(16)13(20)11(18)5-7)8-4-10(17)14(21)12(19)6-8/h3-6,20-21H,1-2H3.
What are the key properties of 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol?
2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol has a molecular weight of 454.97 g/mol, XLogP of 6.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol is sourced from PubChem (CID 14299720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).