2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol

C15H14Br2O2 — CID 656687

IUPAC2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
InChIKeyCKNCVRMXCLUOJI-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.95
Rot. Bonds2

About 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol

2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 656687) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID656687
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
InChIKeyCKNCVRMXCLUOJI-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
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-4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol (CID 656687) is 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is CKNCVRMXCLUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3.
What are the key properties of 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol?
2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 386.08 g/mol, XLogP of 4.95, 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-4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 656687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).