7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one

C14H19O2P — CID 57060971

IUPAC7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one
SMILESCCP(CC)Oc1cccc2c1C(=O)C(C)C2
InChIInChI=1S/C14H19O2P/c1-4-17(5-2)16-12-8-6-7-11-9-10(3)14(15)13(11)12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyZNCYQUQFFKTUGF-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.88
Rot. Bonds4

About 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one

7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 57060971) has the molecular formula C14H19O2P and a molecular weight of 250.28 g/mol. Its IUPAC name is 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID57060971
Molecular FormulaC14H19O2P
Molecular Weight250.28 g/mol
Exact Mass250.11
IUPAC Name7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one
SMILESCCP(CC)Oc1cccc2c1C(=O)C(C)C2
InChIInChI=1S/C14H19O2P/c1-4-17(5-2)16-12-8-6-7-11-9-10(3)14(15)13(11)12/h6-8,10H,4-5,9H2,1-3H3
InChIKeyZNCYQUQFFKTUGF-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.88
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

7-Hydroxy-1-indanone
CID 248078
1-Hydroxyfluorenone
CID 80663
7-Hydroxy-4-methyl-1-indanone
CID 12436244
4-fluoro-7-hydroxy-3-methyl-2,3-dihydro-1H-inden-1-one
CID 16226761
Sodium 2-methyl-1-oxo-2,3-dihydro-1H-inden-5-olate
CID 23681635
7-Hydroxy-2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 145952419
1H-Inden-1-one, 2,3-dihydro-7-hydroxy-3-methyl-
CID 590289
7-Hydroxy-3,6-dimethyl-2,3-dihydroinden-1-one
CID 11367304
7-Hydroxy-3-phenyl-2,3-dihydroinden-1-one
CID 14030264
7-Hydroxy-3,4-dimethylindan-1-one
CID 11148035
5-fluoro-2,3-dihydro-7-hydroxy-3-methyl-1H-inden-1-one
CID 22451497
2-Methyl-3-oxo-2,3-dihydro-1H-inden-4-yl trifluoromethanesulfonate
CID 54006834

Frequently Asked Questions

What is the IUPAC name of 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one (CID 57060971) is 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one is CCP(CC)Oc1cccc2c1C(=O)C(C)C2.
What is the InChIKey of 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is ZNCYQUQFFKTUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O2P/c1-4-17(5-2)16-12-8-6-7-11-9-10(3)14(15)13(11)12/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one?
7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 250.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 57060971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).