diphenylphosphoryl-(4-methylphenyl)methanol

C20H19O2P — CID 135058741

IUPACdiphenylphosphoryl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19O2P/c1-16-12-14-17(15-13-16)20(21)23(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,20-21H,1H3
InChIKeyMQGXYKZQHHWTOQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.00
Rot. Bonds4

About diphenylphosphoryl-(4-methylphenyl)methanol

diphenylphosphoryl-(4-methylphenyl)methanol (PubChem CID 135058741) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is diphenylphosphoryl-(4-methylphenyl)methanol.

Molecular Properties

Compound Namediphenylphosphoryl-(4-methylphenyl)methanol
PubChem CID135058741
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Namediphenylphosphoryl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19O2P/c1-16-12-14-17(15-13-16)20(21)23(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,20-21H,1H3
InChIKeyMQGXYKZQHHWTOQ-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.00
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

1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
CID 100916039
[hydroxy-(4-methylphenyl)methyl]phosphonic acid
CID 21265713
[4-(dihexylamino)phenyl]-diphenylphosphorylmethanol
CID 102226415
(R)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736549
(S)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736548
[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
CID 3784616
(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol
CID 15447343
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
phenylphosphonic acid;toluene
CID 174457204
dimethylphosphoryl(phenyl)methanol
CID 58658737
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryl-(4-methylphenyl)methanol?
The IUPAC name of diphenylphosphoryl-(4-methylphenyl)methanol (CID 135058741) is diphenylphosphoryl-(4-methylphenyl)methanol.
What is the SMILES notation for diphenylphosphoryl-(4-methylphenyl)methanol?
The canonical SMILES for diphenylphosphoryl-(4-methylphenyl)methanol is Cc1ccc(C(O)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphoryl-(4-methylphenyl)methanol?
The InChIKey is MQGXYKZQHHWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c1-16-12-14-17(15-13-16)20(21)23(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,20-21H,1H3.
What are the key properties of diphenylphosphoryl-(4-methylphenyl)methanol?
diphenylphosphoryl-(4-methylphenyl)methanol has a molecular weight of 322.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryl-(4-methylphenyl)methanol is sourced from PubChem (CID 135058741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).