2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol

C34H36Br4O4 — CID 70233628

IUPAC2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O2.C15H12Br4O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h5-12,20-21H,3-4,13-14H2,1-2H3;3-6,20-21H,1-2H3
InChIKeyRPEFRXREVTXZJG-UHFFFAOYSA-N
MW828.27 g/mol
LogP11.46
Rot. Bonds8

About 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol (PubChem CID 70233628) has the molecular formula C34H36Br4O4 and a molecular weight of 828.27 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol
PubChem CID70233628
Molecular FormulaC34H36Br4O4
Molecular Weight828.27 g/mol
Exact Mass823.93
IUPAC Name2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O2.C15H12Br4O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h5-12,20-21H,3-4,13-14H2,1-2H3;3-6,20-21H,1-2H3
InChIKeyRPEFRXREVTXZJG-UHFFFAOYSA-N
XLogP11.46
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.27
LogP ≤ 511.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;propane
CID 161440425
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;bis(guanidine)
CID 6454101
4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol
CID 139838357
1,3-dibromo-5-[2-(3,5-dibromo-4-ethoxyphenyl)propan-2-yl]-2-methylbenzene;bis(2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol)
CID 164990435
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 3,5-dibromo-4-hydroxybenzoate
CID 102279505
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173430863
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol (CID 70233628) is 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol is CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol?
The InChIKey is RPEFRXREVTXZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2.C15H12Br4O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h5-12,20-21H,3-4,13-14H2,1-2H3;3-6,20-21H,1-2H3.
What are the key properties of 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol?
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol has a molecular weight of 828.27 g/mol, XLogP of 11.46, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol is sourced from PubChem (CID 70233628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).