(6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid

C19H19O4P — CID 39378216

IUPAC(6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid
SMILESCc1ccc2oc(=O)cc(CP(=O)(O)CCc3ccccc3)c2c1
InChIInChI=1S/C19H19O4P/c1-14-7-8-18-17(11-14)16(12-19(20)23-18)13-24(21,22)10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,21,22)
InChIKeyFXVQRJJZVLCXKH-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.11
Rot. Bonds5

About (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid

(6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid (PubChem CID 39378216) has the molecular formula C19H19O4P and a molecular weight of 342.33 g/mol. Its IUPAC name is (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name(6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid
PubChem CID39378216
Molecular FormulaC19H19O4P
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name(6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid
SMILESCc1ccc2oc(=O)cc(CP(=O)(O)CCc3ccccc3)c2c1
InChIInChI=1S/C19H19O4P/c1-14-7-8-18-17(11-14)16(12-19(20)23-18)13-24(21,22)10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,21,22)
InChIKeyFXVQRJJZVLCXKH-UHFFFAOYSA-N
XLogP4.11
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-6-methylchromen-2-one
CID 6613364
2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
CID 41180238
4-butyl-6-methylchromen-2-one;formonitrile
CID 6613363
(2-oxochromen-4-yl)methylphosphonic acid
CID 138756323
(2S)-2-[[2-(6-methyl-2-oxochromen-4-yl)acetyl]amino]-3-phenylpropanoate
CID 156619905
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
6-methyl-4-(2-phenylethynyl)chromen-2-one
CID 102263327
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 30112317
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-oxochromen-4-yl)acetamide
CID 135951834
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
4-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxychromen-2-one
CID 6463453

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid?
The IUPAC name of (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid (CID 39378216) is (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid.
What is the SMILES notation for (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid?
The canonical SMILES for (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid is Cc1ccc2oc(=O)cc(CP(=O)(O)CCc3ccccc3)c2c1.
What is the InChIKey of (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid?
The InChIKey is FXVQRJJZVLCXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O4P/c1-14-7-8-18-17(11-14)16(12-19(20)23-18)13-24(21,22)10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,21,22).
What are the key properties of (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid?
(6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid has a molecular weight of 342.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 39378216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).