7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one

C10H9O5PS — CID 87105987

IUPAC7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OP(O)(O)=S)ccc12
InChIInChI=1S/C10H9O5PS/c1-6-4-10(11)14-9-5-7(2-3-8(6)9)15-16(12,13)17/h2-5H,1H3,(H2,12,13,17)
InChIKeyNIFIHOBGGBZQMY-UHFFFAOYSA-N
MW272.22 g/mol
LogP1.69
Rot. Bonds2

About 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one

7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one (PubChem CID 87105987) has the molecular formula C10H9O5PS and a molecular weight of 272.22 g/mol. Its IUPAC name is 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one
PubChem CID87105987
Molecular FormulaC10H9O5PS
Molecular Weight272.22 g/mol
Exact Mass271.99
IUPAC Name7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OP(O)(O)=S)ccc12
InChIInChI=1S/C10H9O5PS/c1-6-4-10(11)14-9-5-7(2-3-8(6)9)15-16(12,13)17/h2-5H,1H3,(H2,12,13,17)
InChIKeyNIFIHOBGGBZQMY-UHFFFAOYSA-N
XLogP1.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[ethoxy(hydroxy)phosphinothioyl]oxy-4-methylchromen-2-one
CID 89157265
sodium bis(4-methyl-2-oxochromen-7-yl) phosphate
CID 23674452
(3-hydroxy-4-methyl-2-oxochromen-7-yl) (4-methyl-2-oxochromen-7-yl) hydrogen phosphate
CID 90320061
diethyl (4-methyl-2-oxochromen-7-yl) phosphate
CID 13477
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
(4-methyl-2-oxochromen-7-yl) trifluoromethanesulfonate
CID 59776431
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
potassium (4-methyl-2-oxochromen-7-yl) sulfate
CID 5044226
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518

Frequently Asked Questions

What is the IUPAC name of 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one?
The IUPAC name of 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one (CID 87105987) is 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one.
What is the SMILES notation for 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one?
The canonical SMILES for 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OP(O)(O)=S)ccc12.
What is the InChIKey of 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one?
The InChIKey is NIFIHOBGGBZQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O5PS/c1-6-4-10(11)14-9-5-7(2-3-8(6)9)15-16(12,13)17/h2-5H,1H3,(H2,12,13,17).
What are the key properties of 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one?
7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one has a molecular weight of 272.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one is sourced from PubChem (CID 87105987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).