[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium

C9H12O3P+ — CID 10932461

IUPAC[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C9H12O3P/c1-7-3-5-8(6-4-7)9(10)13(11)12-2/h3-6,9-10H,1-2H3/q+1/t9-/m0/s1
InChIKeyGVKBPRIGBUHOSD-VIFPVBQESA-N
MW199.17 g/mol
LogP2.37
Rot. Bonds3

About [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium

[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium (PubChem CID 10932461) has the molecular formula C9H12O3P+ and a molecular weight of 199.17 g/mol. Its IUPAC name is [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium.

Molecular Properties

Compound Name[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium
PubChem CID10932461
Molecular FormulaC9H12O3P+
Molecular Weight199.17 g/mol
Exact Mass199.05
IUPAC Name[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C9H12O3P/c1-7-3-5-8(6-4-7)9(10)13(11)12-2/h3-6,9-10H,1-2H3/q+1/t9-/m0/s1
InChIKeyGVKBPRIGBUHOSD-VIFPVBQESA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium?
The IUPAC name of [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium (CID 10932461) is [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium.
What is the SMILES notation for [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium?
The canonical SMILES for [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium is CO[P+](=O)[C@H](O)c1ccc(C)cc1.
What is the InChIKey of [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium?
The InChIKey is GVKBPRIGBUHOSD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12O3P/c1-7-3-5-8(6-4-7)9(10)13(11)12-2/h3-6,9-10H,1-2H3/q+1/t9-/m0/s1.
What are the key properties of [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium?
[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium has a molecular weight of 199.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium is sourced from PubChem (CID 10932461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).