2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol

C19H22Br2O4 — CID 6455161

IUPAC2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
SMILESCC(C)(c1ccc(OCCO)c(Br)c1)c1ccc(OCCO)c(Br)c1
InChIInChI=1S/C19H22Br2O4/c1-19(2,13-3-5-17(15(20)11-13)24-9-7-22)14-4-6-18(16(21)12-14)25-10-8-23/h3-6,11-12,22-23H,7-10H2,1-2H3
InChIKeyLFEXGRKRPALUFH-UHFFFAOYSA-N
MW474.19 g/mol
LogP4.28
Rot. Bonds8

About 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol

2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol (PubChem CID 6455161) has the molecular formula C19H22Br2O4 and a molecular weight of 474.19 g/mol. Its IUPAC name is 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
PubChem CID6455161
Molecular FormulaC19H22Br2O4
Molecular Weight474.19 g/mol
Exact Mass471.99
IUPAC Name2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
SMILESCC(C)(c1ccc(OCCO)c(Br)c1)c1ccc(OCCO)c(Br)c1
InChIInChI=1S/C19H22Br2O4/c1-19(2,13-3-5-17(15(20)11-13)24-9-7-22)14-4-6-18(16(21)12-14)25-10-8-23/h3-6,11-12,22-23H,7-10H2,1-2H3
InChIKeyLFEXGRKRPALUFH-UHFFFAOYSA-N
XLogP4.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.19
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol (CID 6455161) is 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol is CC(C)(c1ccc(OCCO)c(Br)c1)c1ccc(OCCO)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
The InChIKey is LFEXGRKRPALUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2O4/c1-19(2,13-3-5-17(15(20)11-13)24-9-7-22)14-4-6-18(16(21)12-14)25-10-8-23/h3-6,11-12,22-23H,7-10H2,1-2H3.
What are the key properties of 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol?
2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol has a molecular weight of 474.19 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol is sourced from PubChem (CID 6455161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).