(2-oxochromen-4-yl)methylphosphonic acid

C10H9O5P — CID 138756323

IUPAC(2-oxochromen-4-yl)methylphosphonic acid
SMILESO=c1cc(CP(=O)(O)O)c2ccccc2o1
InChIInChI=1S/C10H9O5P/c11-10-5-7(6-16(12,13)14)8-3-1-2-4-9(8)15-10/h1-5H,6H2,(H2,12,13,14)
InChIKeySCLDCCWIWQYYLT-UHFFFAOYSA-N
MW240.15 g/mol
LogP1.47
Rot. Bonds2

About (2-oxochromen-4-yl)methylphosphonic acid

(2-oxochromen-4-yl)methylphosphonic acid (PubChem CID 138756323) has the molecular formula C10H9O5P and a molecular weight of 240.15 g/mol. Its IUPAC name is (2-oxochromen-4-yl)methylphosphonic acid.

Molecular Properties

Compound Name(2-oxochromen-4-yl)methylphosphonic acid
PubChem CID138756323
Molecular FormulaC10H9O5P
Molecular Weight240.15 g/mol
Exact Mass240.02
IUPAC Name(2-oxochromen-4-yl)methylphosphonic acid
SMILESO=c1cc(CP(=O)(O)O)c2ccccc2o1
InChIInChI=1S/C10H9O5P/c11-10-5-7(6-16(12,13)14)8-3-1-2-4-9(8)15-10/h1-5H,6H2,(H2,12,13,14)
InChIKeySCLDCCWIWQYYLT-UHFFFAOYSA-N
XLogP1.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 51.47
H-Bond Donors ≤ 52
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-prop-2-enylchromen-2-one
CID 87576645
phenol;4-(phenoxymethyl)chromen-2-one
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(6-methyl-2-oxochromen-4-yl)methyl-(2-phenylethyl)phosphinic acid
CID 39378216
[7-(heptanoylamino)-2-oxochromen-4-yl]methylphosphonic acid
CID 167213848
2-[(2-oxochromen-4-yl)methylsulfanyl]ethanesulfonic acid
CID 139325466
[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
ethyl 2-[(2-oxochromen-4-yl)methyl]prop-2-enoate
CID 14870004
(2-oxochromen-4-yl)methyl 2-methylbutanoate
CID 170264587
4-(1,2-dihydroxyethyl)chromen-2-one
CID 175926732
4-(2-hydroxyethylsulfanyl)chromen-2-one
CID 119082990
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
4-ethoxychromen-2-one
CID 688703

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-4-yl)methylphosphonic acid?
The IUPAC name of (2-oxochromen-4-yl)methylphosphonic acid (CID 138756323) is (2-oxochromen-4-yl)methylphosphonic acid.
What is the SMILES notation for (2-oxochromen-4-yl)methylphosphonic acid?
The canonical SMILES for (2-oxochromen-4-yl)methylphosphonic acid is O=c1cc(CP(=O)(O)O)c2ccccc2o1.
What is the InChIKey of (2-oxochromen-4-yl)methylphosphonic acid?
The InChIKey is SCLDCCWIWQYYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O5P/c11-10-5-7(6-16(12,13)14)8-3-1-2-4-9(8)15-10/h1-5H,6H2,(H2,12,13,14).
What are the key properties of (2-oxochromen-4-yl)methylphosphonic acid?
(2-oxochromen-4-yl)methylphosphonic acid has a molecular weight of 240.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-4-yl)methylphosphonic acid is sourced from PubChem (CID 138756323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).