4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol

C19H16BrO3P — CID 2776629

IUPAC4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol
SMILESO=P(c1ccccc1)(c1ccccc1)C(O)c1cc(Br)ccc1O
InChIInChI=1S/C19H16BrO3P/c20-14-11-12-18(21)17(13-14)19(22)24(23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19,21-22H
InChIKeyJXLJWSZGBLTSBM-UHFFFAOYSA-N
MW403.21 g/mol
LogP4.16
Rot. Bonds4

About 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol

4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol (PubChem CID 2776629) has the molecular formula C19H16BrO3P and a molecular weight of 403.21 g/mol. Its IUPAC name is 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol
PubChem CID2776629
Molecular FormulaC19H16BrO3P
Molecular Weight403.21 g/mol
Exact Mass402.00
IUPAC Name4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol
SMILESO=P(c1ccccc1)(c1ccccc1)C(O)c1cc(Br)ccc1O
InChIInChI=1S/C19H16BrO3P/c20-14-11-12-18(21)17(13-14)19(22)24(23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19,21-22H
InChIKeyJXLJWSZGBLTSBM-UHFFFAOYSA-N
XLogP4.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.21
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(cyclohexylamino)-diphenylphosphorylmethyl]phenol
CID 2779463
(R)-(2-chlorophenyl)-diphenylphosphorylmethanol
CID 139074182
2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde
CID 159871712
2-[bis(phenylsulfanyl)methyl]-4-bromophenol
CID 11729132
4-bromo-2-[1-(N-methylanilino)ethyl]phenol
CID 82974570
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314550
(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
3-(5-bromo-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 71721725
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
4-bromo-2-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenol
CID 54520011
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
4-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid
CID 43321641

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol?
The IUPAC name of 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol (CID 2776629) is 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol?
The canonical SMILES for 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol is O=P(c1ccccc1)(c1ccccc1)C(O)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol?
The InChIKey is JXLJWSZGBLTSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrO3P/c20-14-11-12-18(21)17(13-14)19(22)24(23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19,21-22H.
What are the key properties of 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol?
4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol has a molecular weight of 403.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[diphenylphosphoryl(hydroxy)methyl]phenol is sourced from PubChem (CID 2776629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).