2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol

C17H16Br4O3 — CID 118473170

IUPAC2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1
InChIInChI=1S/C17H16Br4O3/c1-17(2,9-5-11(18)15(23)12(19)6-9)10-7-13(20)16(14(21)8-10)24-4-3-22/h5-8,22-23H,3-4H2,1-2H3
InChIKeyVKVVNOXPUOIVQX-UHFFFAOYSA-N
MW587.93 g/mol
LogP6.14
Rot. Bonds5

About 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol

2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol (PubChem CID 118473170) has the molecular formula C17H16Br4O3 and a molecular weight of 587.93 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol
PubChem CID118473170
Molecular FormulaC17H16Br4O3
Molecular Weight587.93 g/mol
Exact Mass583.78
IUPAC Name2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1
InChIInChI=1S/C17H16Br4O3/c1-17(2,9-5-11(18)15(23)12(19)6-9)10-7-13(20)16(14(21)8-10)24-4-3-22/h5-8,22-23H,3-4H2,1-2H3
InChIKeyVKVVNOXPUOIVQX-UHFFFAOYSA-N
XLogP6.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.93
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane
CID 20113
1,1'-Isopropylidenebis(4-(allyloxy)-3,5-dibromobenzene)
CID 61972
Tetrabromobisphenol A bis(2,3-dibromopropyl ether)
CID 62753
tetrabromobisphenol A diglycidyl ether
CID 62250
tetrabromobisphenol A dimethyl ether
CID 37841
1,1'-(Isopropylidene)bis(3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene)
CID 22345068
2-Propenoic acid, (1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy-2,1-ethanediyl) ester
CID 105380
(2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-hydroxy-2H-furan-5-one
CID 155551853
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate
CID 118551
Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]-
CID 162914
Carbonic acid, C,C'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy-2,1-ethanediyl)) C,C'-di-2-propen-1-yl ester
CID 44145664
4-[(Z)-7-(3-bromo-4-methoxyphenyl)-5-hydroxyhept-3-enyl]phenol
CID 145993465

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol (CID 118473170) is 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol is CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol?
The InChIKey is VKVVNOXPUOIVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br4O3/c1-17(2,9-5-11(18)15(23)12(19)6-9)10-7-13(20)16(14(21)8-10)24-4-3-22/h5-8,22-23H,3-4H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol?
2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol has a molecular weight of 587.93 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 118473170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).