sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate

C17H11NaO4 — CID 23682652

IUPACsodium 2-(4-oxo-2-phenylchromen-8-yl)acetate
SMILESO=C([O-])Cc1cccc2c(=O)cc(-c3ccccc3)oc12.[Na+]
InChIInChI=1S/C17H12O4.Na/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17;/h1-8,10H,9H2,(H,19,20);/q;+1/p-1
InChIKeyIXVASPMKXYVFLK-UHFFFAOYSA-M
MW302.26 g/mol
LogP-1.24
Rot. Bonds3

About sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate

sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate (PubChem CID 23682652) has the molecular formula C17H11NaO4 and a molecular weight of 302.26 g/mol. Its IUPAC name is sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate.

Molecular Properties

Compound Namesodium 2-(4-oxo-2-phenylchromen-8-yl)acetate
PubChem CID23682652
Molecular FormulaC17H11NaO4
Molecular Weight302.26 g/mol
Exact Mass302.06
IUPAC Namesodium 2-(4-oxo-2-phenylchromen-8-yl)acetate
SMILESO=C([O-])Cc1cccc2c(=O)cc(-c3ccccc3)oc12.[Na+]
InChIInChI=1S/C17H12O4.Na/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17;/h1-8,10H,9H2,(H,19,20);/q;+1/p-1
InChIKeyIXVASPMKXYVFLK-UHFFFAOYSA-M
XLogP-1.24
TPSA70.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629
sodium 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-8-yl]acetate
CID 102329160
2-[2-(4-nitrophenyl)-4-oxochromen-8-yl]acetic acid
CID 50991648
8-benzyl-2-phenylchromen-4-one
CID 69123022
sodium 2-[4-oxo-2-(2,3,4,5-tetramethoxyphenyl)chromen-8-yl]acetate
CID 102329162
2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid
CID 19741674
2-[2-(4-chloro-3-nitrophenyl)-4-oxochromen-8-yl]acetic acid
CID 19897271
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
4-oxo-2-phenylchromene-8-carbaldehyde
CID 13233926
bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
CID 175725603
2-phenylchromen-4-one
CID 90124083
2-[2-(cyclohepten-1-yl)-4-oxochromen-8-yl]acetic acid
CID 14650454

Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate?
The IUPAC name of sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate (CID 23682652) is sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate.
What is the SMILES notation for sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate?
The canonical SMILES for sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate is O=C([O-])Cc1cccc2c(=O)cc(-c3ccccc3)oc12.[Na+].
What is the InChIKey of sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate?
The InChIKey is IXVASPMKXYVFLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H12O4.Na/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17;/h1-8,10H,9H2,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate?
sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate has a molecular weight of 302.26 g/mol, XLogP of -1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate is sourced from PubChem (CID 23682652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).