[benzyl(methoxy)phosphoryl]methanol

C9H13O3P — CID 54224349

IUPAC[benzyl(methoxy)phosphoryl]methanol
SMILESCOP(=O)(CO)Cc1ccccc1
InChIInChI=1S/C9H13O3P/c1-12-13(11,8-10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyQEUSLMWYXMZRMK-UHFFFAOYSA-N
MW200.17 g/mol
LogP2.06
Rot. Bonds4

About [benzyl(methoxy)phosphoryl]methanol

[benzyl(methoxy)phosphoryl]methanol (PubChem CID 54224349) has the molecular formula C9H13O3P and a molecular weight of 200.17 g/mol. Its IUPAC name is [benzyl(methoxy)phosphoryl]methanol.

Molecular Properties

Compound Name[benzyl(methoxy)phosphoryl]methanol
PubChem CID54224349
Molecular FormulaC9H13O3P
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name[benzyl(methoxy)phosphoryl]methanol
SMILESCOP(=O)(CO)Cc1ccccc1
InChIInChI=1S/C9H13O3P/c1-12-13(11,8-10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyQEUSLMWYXMZRMK-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
methyl acetate;phenylmethanol
CID 174674344
methoxymethylbenzene;methyl acetate
CID 54330728
[ethoxy(2-phenylsulfanylethyl)phosphoryl]methylbenzene
CID 161044243
(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate
CID 141214958
3-[methoxy(pentyl)phosphoryl]propylbenzene
CID 11173209
benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 598912
dimethoxyphosphorylselanylmethylbenzene
CID 86578734
benzyl(phenoxy)phosphinic acid
CID 54071062
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine
CID 92531582

Frequently Asked Questions

What is the IUPAC name of [benzyl(methoxy)phosphoryl]methanol?
The IUPAC name of [benzyl(methoxy)phosphoryl]methanol (CID 54224349) is [benzyl(methoxy)phosphoryl]methanol.
What is the SMILES notation for [benzyl(methoxy)phosphoryl]methanol?
The canonical SMILES for [benzyl(methoxy)phosphoryl]methanol is COP(=O)(CO)Cc1ccccc1.
What is the InChIKey of [benzyl(methoxy)phosphoryl]methanol?
The InChIKey is QEUSLMWYXMZRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P/c1-12-13(11,8-10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of [benzyl(methoxy)phosphoryl]methanol?
[benzyl(methoxy)phosphoryl]methanol has a molecular weight of 200.17 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(methoxy)phosphoryl]methanol is sourced from PubChem (CID 54224349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).