(S)-diphenoxyphosphoryl(phenyl)methanol

C19H17O4P — CID 36690824

IUPAC(S)-diphenoxyphosphoryl(phenyl)methanol
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H17O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19-20H/t19-/m0/s1
InChIKeyLGWPZWRZPMNUGB-IBGZPJMESA-N
MW340.32 g/mol
LogP5.03
Rot. Bonds6

About (S)-diphenoxyphosphoryl(phenyl)methanol

(S)-diphenoxyphosphoryl(phenyl)methanol (PubChem CID 36690824) has the molecular formula C19H17O4P and a molecular weight of 340.32 g/mol. Its IUPAC name is (S)-diphenoxyphosphoryl(phenyl)methanol.

Molecular Properties

Compound Name(S)-diphenoxyphosphoryl(phenyl)methanol
PubChem CID36690824
Molecular FormulaC19H17O4P
Molecular Weight340.32 g/mol
Exact Mass340.09
IUPAC Name(S)-diphenoxyphosphoryl(phenyl)methanol
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H17O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19-20H/t19-/m0/s1
InChIKeyLGWPZWRZPMNUGB-IBGZPJMESA-N
XLogP5.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethylphosphoryl(phenyl)methanol
CID 58658737
bis[(R)-hydroxy(phenyl)methyl]phosphinate
CID 51394422
(S)-bis(2,2,2-trifluoroethoxy)phosphoryl-phenylmethanol
CID 102473558
3-diphenoxyphosphoryl-N-[(1S)-1-phenylethyl]butan-2-imine
CID 102080165
[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate
CID 67678043
[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
CID 3784616
benzhydryl diphenyl phosphate
CID 13353620
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919

Frequently Asked Questions

What is the IUPAC name of (S)-diphenoxyphosphoryl(phenyl)methanol?
The IUPAC name of (S)-diphenoxyphosphoryl(phenyl)methanol (CID 36690824) is (S)-diphenoxyphosphoryl(phenyl)methanol.
What is the SMILES notation for (S)-diphenoxyphosphoryl(phenyl)methanol?
The canonical SMILES for (S)-diphenoxyphosphoryl(phenyl)methanol is O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (S)-diphenoxyphosphoryl(phenyl)methanol?
The InChIKey is LGWPZWRZPMNUGB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19-20H/t19-/m0/s1.
What are the key properties of (S)-diphenoxyphosphoryl(phenyl)methanol?
(S)-diphenoxyphosphoryl(phenyl)methanol has a molecular weight of 340.32 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-diphenoxyphosphoryl(phenyl)methanol is sourced from PubChem (CID 36690824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).