2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol

C31H25O2P — CID 57269078

IUPAC2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1C(Pc1ccccc1)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C31H25O2P/c32-29-25(22-12-4-1-5-13-22)18-10-20-27(29)31(34-24-16-8-3-9-17-24)28-21-11-19-26(30(28)33)23-14-6-2-7-15-23/h1-21,31-34H
InChIKeyRECLHNLAVRVXTQ-UHFFFAOYSA-N
MW460.51 g/mol
LogP7.53
Rot. Bonds6

About 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol

2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol (PubChem CID 57269078) has the molecular formula C31H25O2P and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol
PubChem CID57269078
Molecular FormulaC31H25O2P
Molecular Weight460.51 g/mol
Exact Mass460.16
IUPAC Name2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1C(Pc1ccccc1)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C31H25O2P/c32-29-25(22-12-4-1-5-13-22)18-10-20-27(29)31(34-24-16-8-3-9-17-24)28-21-11-19-26(30(28)33)23-14-6-2-7-15-23/h1-21,31-34H
InChIKeyRECLHNLAVRVXTQ-UHFFFAOYSA-N
XLogP7.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol?
The IUPAC name of 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol (CID 57269078) is 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol is Oc1c(-c2ccccc2)cccc1C(Pc1ccccc1)c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol?
The InChIKey is RECLHNLAVRVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25O2P/c32-29-25(22-12-4-1-5-13-22)18-10-20-27(29)31(34-24-16-8-3-9-17-24)28-21-11-19-26(30(28)33)23-14-6-2-7-15-23/h1-21,31-34H.
What are the key properties of 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol?
2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol has a molecular weight of 460.51 g/mol, XLogP of 7.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-phenylphenyl)-phenylphosphanylmethyl]-6-phenylphenol is sourced from PubChem (CID 57269078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).