2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol

C24H17Cl2O2P — CID 177496549

IUPAC2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C24H17Cl2O2P/c25-17-15-21(24(27)22(26)16-17)20-13-7-8-14-23(20)29(28,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,27H
InChIKeyYOQYRHHDBOZQOZ-UHFFFAOYSA-N
MW439.28 g/mol
LogP6.01
Rot. Bonds4

About 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol

2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol (PubChem CID 177496549) has the molecular formula C24H17Cl2O2P and a molecular weight of 439.28 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol
PubChem CID177496549
Molecular FormulaC24H17Cl2O2P
Molecular Weight439.28 g/mol
Exact Mass438.03
IUPAC Name2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C24H17Cl2O2P/c25-17-15-21(24(27)22(26)16-17)20-13-7-8-14-23(20)29(28,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,27H
InChIKeyYOQYRHHDBOZQOZ-UHFFFAOYSA-N
XLogP6.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.28
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphorylphenol
CID 626229
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
CID 145310066
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
2-chlorophenol;2,4,6-trichlorophenol
CID 158985831
2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 137234781
6-[4-[N-(3-diphenylphosphoryl-2,4,5,6-tetrahydroxyphenyl)-2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)anilino]-2,3,5,6-tetrahydroxyphenyl]benzene-1,2,3,4,5-pentol
CID 144999367
2,4-dichloro-6-(furan-2-yl)phenol
CID 168524545
1-(chloromethyl)-2-diphenylphosphorylbenzene
CID 152708651
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol
CID 54039052

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol?
The IUPAC name of 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol (CID 177496549) is 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol is O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol?
The InChIKey is YOQYRHHDBOZQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2O2P/c25-17-15-21(24(27)22(26)16-17)20-13-7-8-14-23(20)29(28,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,27H.
What are the key properties of 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol?
2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol has a molecular weight of 439.28 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-diphenylphosphorylphenyl)phenol is sourced from PubChem (CID 177496549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).