sodium;6,7-dimethoxychromen-2-one;chloride

C11H10ClNaO4 — CID 174522152

IUPACsodium;6,7-dimethoxychromen-2-one;chloride
SMILESCOc1cc2ccc(=O)oc2cc1OC.[Cl-].[Na+]
InChIInChI=1S/C11H10O4.ClH.Na/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2;;/h3-6H,1-2H3;1H;/q;;+1/p-1
InChIKeyFOKOIPPELVMKPQ-UHFFFAOYSA-M
MW264.64 g/mol
LogP-4.18
Rot. Bonds2

About sodium;6,7-dimethoxychromen-2-one;chloride

sodium;6,7-dimethoxychromen-2-one;chloride (PubChem CID 174522152) has the molecular formula C11H10ClNaO4 and a molecular weight of 264.64 g/mol. Its IUPAC name is sodium;6,7-dimethoxychromen-2-one;chloride.

Molecular Properties

Compound Namesodium;6,7-dimethoxychromen-2-one;chloride
PubChem CID174522152
Molecular FormulaC11H10ClNaO4
Molecular Weight264.64 g/mol
Exact Mass264.02
IUPAC Namesodium;6,7-dimethoxychromen-2-one;chloride
SMILESCOc1cc2ccc(=O)oc2cc1OC.[Cl-].[Na+]
InChIInChI=1S/C11H10O4.ClH.Na/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2;;/h3-6H,1-2H3;1H;/q;;+1/p-1
InChIKeyFOKOIPPELVMKPQ-UHFFFAOYSA-M
XLogP-4.18
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 5-4.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxychromen-2-one
CID 159563577
(7-methoxy-2-oxochromen-6-yl) hydrogen sulfate
CID 163085757
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
(6-methoxy-2-oxochromen-7-yl) 3-methylbutanoate
CID 155292895
3-methoxyfuro[3,2-g]chromen-7-one
CID 12896811
7-methoxy-6-nitrochromen-2-one
CID 10656586
4-(7-methoxy-2-oxochromen-6-yl)oxybutanoic acid
CID 54430844
3-(6-methoxy-2-oxochromen-7-yl)oxypropyl methanesulfonate
CID 19927657
7-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 162876702
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide
CID 62707255
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(6-methoxy-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
CID 163199437

Frequently Asked Questions

What is the IUPAC name of sodium;6,7-dimethoxychromen-2-one;chloride?
The IUPAC name of sodium;6,7-dimethoxychromen-2-one;chloride (CID 174522152) is sodium;6,7-dimethoxychromen-2-one;chloride.
What is the SMILES notation for sodium;6,7-dimethoxychromen-2-one;chloride?
The canonical SMILES for sodium;6,7-dimethoxychromen-2-one;chloride is COc1cc2ccc(=O)oc2cc1OC.[Cl-].[Na+].
What is the InChIKey of sodium;6,7-dimethoxychromen-2-one;chloride?
The InChIKey is FOKOIPPELVMKPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O4.ClH.Na/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2;;/h3-6H,1-2H3;1H;/q;;+1/p-1.
What are the key properties of sodium;6,7-dimethoxychromen-2-one;chloride?
sodium;6,7-dimethoxychromen-2-one;chloride has a molecular weight of 264.64 g/mol, XLogP of -4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6,7-dimethoxychromen-2-one;chloride is sourced from PubChem (CID 174522152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).