4-[(4-diphenylphosphanylphenyl)methyl]phenol

C25H21OP — CID 141151441

IUPAC4-[(4-diphenylphosphanylphenyl)methyl]phenol
SMILESOc1ccc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21OP/c26-22-15-11-20(12-16-22)19-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,26H,19H2
InChIKeyVLLVQXRTESAJIN-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.74
Rot. Bonds5

About 4-[(4-diphenylphosphanylphenyl)methyl]phenol

4-[(4-diphenylphosphanylphenyl)methyl]phenol (PubChem CID 141151441) has the molecular formula C25H21OP and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[(4-diphenylphosphanylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-diphenylphosphanylphenyl)methyl]phenol
PubChem CID141151441
Molecular FormulaC25H21OP
Molecular Weight368.42 g/mol
Exact Mass368.13
IUPAC Name4-[(4-diphenylphosphanylphenyl)methyl]phenol
SMILESOc1ccc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21OP/c26-22-15-11-20(12-16-22)19-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,26H,19H2
InChIKeyVLLVQXRTESAJIN-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
CID 172747492
CID 131886054
CID 131886054
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
carbon monoxide;4-diphenylphosphanylphenol;tungsten
CID 11039303
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
1,1'-biphenyl;phenol;triphenylphosphane
CID 173130424
4-[(4-phenylsulfanylphenyl)methyl]phenol
CID 175400432
[4-(methoxymethyl)phenyl]-diphenylphosphane
CID 22609699
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
N-[(4-diphenylphosphanylphenyl)methyl]-1-phenylmethanamine
CID 24878642
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987

Frequently Asked Questions

What is the IUPAC name of 4-[(4-diphenylphosphanylphenyl)methyl]phenol?
The IUPAC name of 4-[(4-diphenylphosphanylphenyl)methyl]phenol (CID 141151441) is 4-[(4-diphenylphosphanylphenyl)methyl]phenol.
What is the SMILES notation for 4-[(4-diphenylphosphanylphenyl)methyl]phenol?
The canonical SMILES for 4-[(4-diphenylphosphanylphenyl)methyl]phenol is Oc1ccc(Cc2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-diphenylphosphanylphenyl)methyl]phenol?
The InChIKey is VLLVQXRTESAJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21OP/c26-22-15-11-20(12-16-22)19-21-13-17-25(18-14-21)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,26H,19H2.
What are the key properties of 4-[(4-diphenylphosphanylphenyl)methyl]phenol?
4-[(4-diphenylphosphanylphenyl)methyl]phenol has a molecular weight of 368.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-diphenylphosphanylphenyl)methyl]phenol is sourced from PubChem (CID 141151441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).