2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol

C20H18BrO3P — CID 19580460

IUPAC2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1OCCO
InChIInChI=1S/C20H18BrO3P/c21-16-11-12-19(24-14-13-22)20(15-16)25(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,22H,13-14H2
InChIKeyJEDZPAKRQMCORO-UHFFFAOYSA-N
MW417.24 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol

2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol (PubChem CID 19580460) has the molecular formula C20H18BrO3P and a molecular weight of 417.24 g/mol. Its IUPAC name is 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol
PubChem CID19580460
Molecular FormulaC20H18BrO3P
Molecular Weight417.24 g/mol
Exact Mass416.02
IUPAC Name2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1OCCO
InChIInChI=1S/C20H18BrO3P/c21-16-11-12-19(24-14-13-22)20(15-16)25(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,22H,13-14H2
InChIKeyJEDZPAKRQMCORO-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol
CID 102057029
2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol
CID 135069089
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine
CID 10748478
1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene
CID 135193040
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
CID 175227137
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 155589383
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
N-(3-diphenylphosphoryl-4-methoxyphenyl)acetamide
CID 3921981
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol?
The IUPAC name of 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol (CID 19580460) is 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol.
What is the SMILES notation for 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol?
The canonical SMILES for 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol is O=P(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1OCCO.
What is the InChIKey of 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol?
The InChIKey is JEDZPAKRQMCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrO3P/c21-16-11-12-19(24-14-13-22)20(15-16)25(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,22H,13-14H2.
What are the key properties of 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol?
2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol has a molecular weight of 417.24 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol is sourced from PubChem (CID 19580460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).