potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate

C9H12KO2P — CID 174951239

IUPACpotassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OP.[H-].[K+]
InChIInChI=1S/C9H11O2P.K.H/c1-7-4-2-3-5-8(7)6-9(10)11-12;;/h2-5H,6,12H2,1H3;;/q;+1;-1
InChIKeyKHBBSMAOJNPJGX-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.01
Rot. Bonds2

About potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate

potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate (PubChem CID 174951239) has the molecular formula C9H12KO2P and a molecular weight of 222.27 g/mol. Its IUPAC name is potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Namepotassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
PubChem CID174951239
Molecular FormulaC9H12KO2P
Molecular Weight222.27 g/mol
Exact Mass222.02
IUPAC Namepotassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OP.[H-].[K+]
InChIInChI=1S/C9H11O2P.K.H/c1-7-4-2-3-5-8(7)6-9(10)11-12;;/h2-5H,6,12H2,1H3;;/q;+1;-1
InChIKeyKHBBSMAOJNPJGX-UHFFFAOYSA-N
XLogP-1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methylphenyl)acetic acid
CID 67440217
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
2-(2-methylphenyl)-N-oxoacetamide
CID 89001397
[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
CID 57251946
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089
methyl 3-[(2-methylphenyl)methyl]but-3-enoate
CID 117268934
pent-3-ynyl 2-(2-methylphenyl)acetate
CID 75453317
1,2-bis(2-methylphenyl)ethanone
CID 11345119
3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate
CID 140788680

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate?
The IUPAC name of potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate (CID 174951239) is potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate.
What is the SMILES notation for potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate?
The canonical SMILES for potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OP.[H-].[K+].
What is the InChIKey of potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate?
The InChIKey is KHBBSMAOJNPJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P.K.H/c1-7-4-2-3-5-8(7)6-9(10)11-12;;/h2-5H,6,12H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate?
potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate has a molecular weight of 222.27 g/mol, XLogP of -1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate is sourced from PubChem (CID 174951239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).