sodium 7-(methoxymethoxy)-2-oxochromen-4-olate

C11H9NaO5 — CID 23717345

IUPACsodium 7-(methoxymethoxy)-2-oxochromen-4-olate
SMILESCOCOc1ccc2c([O-])cc(=O)oc2c1.[Na+]
InChIInChI=1S/C11H10O5.Na/c1-14-6-15-7-2-3-8-9(12)5-11(13)16-10(8)4-7;/h2-5,12H,6H2,1H3;/q;+1/p-1
InChIKeySMUXPTROZZMRRM-UHFFFAOYSA-M
MW244.18 g/mol
LogP-2.15
Rot. Bonds3

About sodium 7-(methoxymethoxy)-2-oxochromen-4-olate

sodium 7-(methoxymethoxy)-2-oxochromen-4-olate (PubChem CID 23717345) has the molecular formula C11H9NaO5 and a molecular weight of 244.18 g/mol. Its IUPAC name is sodium 7-(methoxymethoxy)-2-oxochromen-4-olate.

Molecular Properties

Compound Namesodium 7-(methoxymethoxy)-2-oxochromen-4-olate
PubChem CID23717345
Molecular FormulaC11H9NaO5
Molecular Weight244.18 g/mol
Exact Mass244.03
IUPAC Namesodium 7-(methoxymethoxy)-2-oxochromen-4-olate
SMILESCOCOc1ccc2c([O-])cc(=O)oc2c1.[Na+]
InChIInChI=1S/C11H10O5.Na/c1-14-6-15-7-2-3-8-9(12)5-11(13)16-10(8)4-7;/h2-5,12H,6H2,1H3;/q;+1/p-1
InChIKeySMUXPTROZZMRRM-UHFFFAOYSA-M
XLogP-2.15
TPSA71.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,6-bis(2-methoxyethoxymethoxy)xanthen-9-one
CID 86228251
3-(2-methoxyethynyl)-7-(methoxymethoxy)chromen-4-one
CID 140728408
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
4-amino-7-butoxychromen-2-one
CID 175494716
2-(4-bromophenyl)-3-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 163381475
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
7-ethoxy-4-phenylchromen-2-one
CID 678937
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238

Frequently Asked Questions

What is the IUPAC name of sodium 7-(methoxymethoxy)-2-oxochromen-4-olate?
The IUPAC name of sodium 7-(methoxymethoxy)-2-oxochromen-4-olate (CID 23717345) is sodium 7-(methoxymethoxy)-2-oxochromen-4-olate.
What is the SMILES notation for sodium 7-(methoxymethoxy)-2-oxochromen-4-olate?
The canonical SMILES for sodium 7-(methoxymethoxy)-2-oxochromen-4-olate is COCOc1ccc2c([O-])cc(=O)oc2c1.[Na+].
What is the InChIKey of sodium 7-(methoxymethoxy)-2-oxochromen-4-olate?
The InChIKey is SMUXPTROZZMRRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O5.Na/c1-14-6-15-7-2-3-8-9(12)5-11(13)16-10(8)4-7;/h2-5,12H,6H2,1H3;/q;+1/p-1.
What are the key properties of sodium 7-(methoxymethoxy)-2-oxochromen-4-olate?
sodium 7-(methoxymethoxy)-2-oxochromen-4-olate has a molecular weight of 244.18 g/mol, XLogP of -2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-(methoxymethoxy)-2-oxochromen-4-olate is sourced from PubChem (CID 23717345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).