4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid

C19H14O8 — CID 2322568

IUPAC4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
SMILESCc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H14O8/c1-10-18(27-12-4-2-11(3-5-12)19(23)24)17(22)14-7-6-13(8-15(14)26-10)25-9-16(20)21/h2-8H,9H2,1H3,(H,20,21)(H,23,24)
InChIKeyAHFPSIXUYIAQMZ-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.06
Rot. Bonds6

About 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid

4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid (PubChem CID 2322568) has the molecular formula C19H14O8 and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
PubChem CID2322568
Molecular FormulaC19H14O8
Molecular Weight370.31 g/mol
Exact Mass370.07
IUPAC Name4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
SMILESCc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H14O8/c1-10-18(27-12-4-2-11(3-5-12)19(23)24)17(22)14-7-6-13(8-15(14)26-10)25-9-16(20)21/h2-8H,9H2,1H3,(H,20,21)(H,23,24)
InChIKeyAHFPSIXUYIAQMZ-UHFFFAOYSA-N
XLogP3.06
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264
2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid
CID 7140143
ethyl 4-[2-methyl-7-[(4-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2000239
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 45371003
(2R)-2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 51819684
2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
N-hydroxy-4-[[3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163141415

Frequently Asked Questions

What is the IUPAC name of 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid?
The IUPAC name of 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid (CID 2322568) is 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid.
What is the SMILES notation for 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid?
The canonical SMILES for 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid is Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid?
The InChIKey is AHFPSIXUYIAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O8/c1-10-18(27-12-4-2-11(3-5-12)19(23)24)17(22)14-7-6-13(8-15(14)26-10)25-9-16(20)21/h2-8H,9H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid?
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid has a molecular weight of 370.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid is sourced from PubChem (CID 2322568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).