2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol

C25H22IOP — CID 175593088

IUPAC2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol
SMILESCc1ccc(O)c(P(I)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H22IOP/c1-20-17-18-24(27)25(19-20)28(26,21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19,27H,1H3
InChIKeyZQQPVJPGLPNMKZ-UHFFFAOYSA-N
MW496.33 g/mol
LogP5.21
Rot. Bonds4

About 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol

2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol (PubChem CID 175593088) has the molecular formula C25H22IOP and a molecular weight of 496.33 g/mol. Its IUPAC name is 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol.

Molecular Properties

Compound Name2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol
PubChem CID175593088
Molecular FormulaC25H22IOP
Molecular Weight496.33 g/mol
Exact Mass496.05
IUPAC Name2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol
SMILESCc1ccc(O)c(P(I)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H22IOP/c1-20-17-18-24(27)25(19-20)28(26,21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19,27H,1H3
InChIKeyZQQPVJPGLPNMKZ-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.33
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
2,4-dimethylphenol
CID 67713801
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2-(4-methyl-2-phenylphenyl)phenol
CID 11368967
zinc;2-bromo-4-methylphenol;oxygen(2-)
CID 174743291
dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
CID 100926580
chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
CID 87866037
2,4-dimethylphenol;yttrium
CID 87733318
CID 172763014
CID 172763014
CID 175892141
CID 175892141

Frequently Asked Questions

What is the IUPAC name of 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol?
The IUPAC name of 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol (CID 175593088) is 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol.
What is the SMILES notation for 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol?
The canonical SMILES for 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol is Cc1ccc(O)c(P(I)(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol?
The InChIKey is ZQQPVJPGLPNMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22IOP/c1-20-17-18-24(27)25(19-20)28(26,21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19,27H,1H3.
What are the key properties of 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol?
2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol has a molecular weight of 496.33 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol is sourced from PubChem (CID 175593088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).