hydroxy-(3-methylphenyl)-oxophosphanium

C7H8O2P+ — CID 19796161

IUPAChydroxy-(3-methylphenyl)-oxophosphanium
SMILESCc1cccc([P+](=O)O)c1
InChIInChI=1S/C7H7O2P/c1-6-3-2-4-7(5-6)10(8)9/h2-5H,1H3/p+1
InChIKeyOLZDMUQTNREBSE-UHFFFAOYSA-O
MW155.11 g/mol
LogP1.36
Rot. Bonds1

About hydroxy-(3-methylphenyl)-oxophosphanium

hydroxy-(3-methylphenyl)-oxophosphanium (PubChem CID 19796161) has the molecular formula C7H8O2P+ and a molecular weight of 155.11 g/mol. Its IUPAC name is hydroxy-(3-methylphenyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(3-methylphenyl)-oxophosphanium
PubChem CID19796161
Molecular FormulaC7H8O2P+
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Namehydroxy-(3-methylphenyl)-oxophosphanium
SMILESCc1cccc([P+](=O)O)c1
InChIInChI=1S/C7H7O2P/c1-6-3-2-4-7(5-6)10(8)9/h2-5H,1H3/p+1
InChIKeyOLZDMUQTNREBSE-UHFFFAOYSA-O
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(3-methylphenyl)-oxophosphanium?
The IUPAC name of hydroxy-(3-methylphenyl)-oxophosphanium (CID 19796161) is hydroxy-(3-methylphenyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(3-methylphenyl)-oxophosphanium?
The canonical SMILES for hydroxy-(3-methylphenyl)-oxophosphanium is Cc1cccc([P+](=O)O)c1.
What is the InChIKey of hydroxy-(3-methylphenyl)-oxophosphanium?
The InChIKey is OLZDMUQTNREBSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7O2P/c1-6-3-2-4-7(5-6)10(8)9/h2-5H,1H3/p+1.
What are the key properties of hydroxy-(3-methylphenyl)-oxophosphanium?
hydroxy-(3-methylphenyl)-oxophosphanium has a molecular weight of 155.11 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-methylphenyl)-oxophosphanium is sourced from PubChem (CID 19796161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).