sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate

C18H15NaO6 — CID 177001497

IUPACsodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate
SMILESCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c([O-])c3)oc2c1.[Na+]
InChIInChI=1S/C18H16O6.Na/c1-2-5-23-11-7-14(21)18-15(22)9-16(24-17(18)8-11)10-3-4-12(19)13(20)6-10;/h3-4,6-9,19-21H,2,5H2,1H3;/q;+1/p-1
InChIKeyQIUVTADPJGFFGJ-UHFFFAOYSA-M
MW350.30 g/mol
LogP-0.26
Rot. Bonds4

About sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate

sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate (PubChem CID 177001497) has the molecular formula C18H15NaO6 and a molecular weight of 350.30 g/mol. Its IUPAC name is sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate.

Molecular Properties

Compound Namesodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate
PubChem CID177001497
Molecular FormulaC18H15NaO6
Molecular Weight350.30 g/mol
Exact Mass350.08
IUPAC Namesodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate
SMILESCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c([O-])c3)oc2c1.[Na+]
InChIInChI=1S/C18H16O6.Na/c1-2-5-23-11-7-14(21)18-15(22)9-16(24-17(18)8-11)10-3-4-12(19)13(20)6-10;/h3-4,6-9,19-21H,2,5H2,1H3;/q;+1/p-1
InChIKeyQIUVTADPJGFFGJ-UHFFFAOYSA-M
XLogP-0.26
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5-hydroxy-2-[3-hydroxy-4-(1-methoxypropan-2-yl)phenyl]-7-propoxychromen-4-one
CID 22376440
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
CID 19049226
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-piperidin-1-ylethoxy)chromen-4-one;hydrochloride
CID 142688405
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
CID 86582075
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
CID 44610309

Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate?
The IUPAC name of sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate (CID 177001497) is sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate.
What is the SMILES notation for sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate?
The canonical SMILES for sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate is CCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c([O-])c3)oc2c1.[Na+].
What is the InChIKey of sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate?
The InChIKey is QIUVTADPJGFFGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16O6.Na/c1-2-5-23-11-7-14(21)18-15(22)9-16(24-17(18)8-11)10-3-4-12(19)13(20)6-10;/h3-4,6-9,19-21H,2,5H2,1H3;/q;+1/p-1.
What are the key properties of sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate?
sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate has a molecular weight of 350.30 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate is sourced from PubChem (CID 177001497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).