4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid

C14H9NO5 — CID 22299363

IUPAC4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid
SMILESCc1oc2c(c(O)c(N=O)c3ccccc32)c1C(=O)O
InChIInChI=1S/C14H9NO5/c1-6-9(14(17)18)10-12(16)11(15-19)7-4-2-3-5-8(7)13(10)20-6/h2-5,16H,1H3,(H,17,18)
InChIKeyOQENGAPDDLRPMK-UHFFFAOYSA-N
MW271.23 g/mol
LogP3.70
Rot. Bonds2

About 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid

4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid (PubChem CID 22299363) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid
PubChem CID22299363
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid
SMILESCc1oc2c(c(O)c(N=O)c3ccccc32)c1C(=O)O
InChIInChI=1S/C14H9NO5/c1-6-9(14(17)18)10-12(16)11(15-19)7-4-2-3-5-8(7)13(10)20-6/h2-5,16H,1H3,(H,17,18)
InChIKeyOQENGAPDDLRPMK-UHFFFAOYSA-N
XLogP3.70
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-pyridin-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylic acid
CID 71766102
4-[(4-ethylpiperazin-1-yl)-pyridin-4-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 71766975
CID 159774237
CID 159774237
6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid
CID 11448226
ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
CID 15420181
ethyl 5-hydroxy-2-methyl-4-[phenyl(piperidin-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate
CID 4581764
N-methyl-3-nitroso-2-oxochromene-4-carboxamide
CID 170233777
ethyl 4-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 136832314
3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
CID 101198518
3-methyl-2-benzofuran-1-carboxylic acid
CID 53435118
ethyl 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 3447351
ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid (CID 22299363) is 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid is Cc1oc2c(c(O)c(N=O)c3ccccc32)c1C(=O)O.
What is the InChIKey of 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid?
The InChIKey is OQENGAPDDLRPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c1-6-9(14(17)18)10-12(16)11(15-19)7-4-2-3-5-8(7)13(10)20-6/h2-5,16H,1H3,(H,17,18).
What are the key properties of 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid?
4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-nitrosobenzo[g][1]benzofuran-3-carboxylic acid is sourced from PubChem (CID 22299363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).