7-methyl-2-nitroso-1-benzofuran-3-ol

C9H7NO3 — CID 137243264

IUPAC7-methyl-2-nitroso-1-benzofuran-3-ol
SMILESCc1cccc2c(O)c(N=O)oc12
InChIInChI=1S/C9H7NO3/c1-5-3-2-4-6-7(11)9(10-12)13-8(5)6/h2-4,11H,1H3
InChIKeyHZLUYSMIVGNXQZ-UHFFFAOYSA-N
MW177.16 g/mol
LogP2.84
Rot. Bonds1

About 7-methyl-2-nitroso-1-benzofuran-3-ol

7-methyl-2-nitroso-1-benzofuran-3-ol (PubChem CID 137243264) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 7-methyl-2-nitroso-1-benzofuran-3-ol.

Molecular Properties

Compound Name7-methyl-2-nitroso-1-benzofuran-3-ol
PubChem CID137243264
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name7-methyl-2-nitroso-1-benzofuran-3-ol
SMILESCc1cccc2c(O)c(N=O)oc12
InChIInChI=1S/C9H7NO3/c1-5-3-2-4-6-7(11)9(10-12)13-8(5)6/h2-4,11H,1H3
InChIKeyHZLUYSMIVGNXQZ-UHFFFAOYSA-N
XLogP2.84
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-nitroso-1-benzofuran-3-ol
CID 595970
4-hydroxy-8-methyl-2-oxochromene-3-carbonitrile;hydrate
CID 159853913
4-hydroxy-8-methylchromen-2-one
CID 54676122
2-(2-hydroxyphenyl)-8-methylchromen-4-one
CID 90123995
2-(4-hydroxyphenyl)-8-methylchromen-4-one
CID 24721527
N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 60564685
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
3-(2,7-dimethyl-1-benzofuran-3-yl)propanoic acid
CID 83910179
sodium (2R)-2-(5-methyl-9-oxoxanthen-4-yl)propanoate
CID 90661221
sodium (2S)-2-(5-methyl-9-oxoxanthen-4-yl)propanoate
CID 90661326
5-methyl-1,2,3,4-tetrahydroxanthen-9-one
CID 91665355
N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 54718447

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-nitroso-1-benzofuran-3-ol?
The IUPAC name of 7-methyl-2-nitroso-1-benzofuran-3-ol (CID 137243264) is 7-methyl-2-nitroso-1-benzofuran-3-ol.
What is the SMILES notation for 7-methyl-2-nitroso-1-benzofuran-3-ol?
The canonical SMILES for 7-methyl-2-nitroso-1-benzofuran-3-ol is Cc1cccc2c(O)c(N=O)oc12.
What is the InChIKey of 7-methyl-2-nitroso-1-benzofuran-3-ol?
The InChIKey is HZLUYSMIVGNXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-5-3-2-4-6-7(11)9(10-12)13-8(5)6/h2-4,11H,1H3.
What are the key properties of 7-methyl-2-nitroso-1-benzofuran-3-ol?
7-methyl-2-nitroso-1-benzofuran-3-ol has a molecular weight of 177.16 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-nitroso-1-benzofuran-3-ol is sourced from PubChem (CID 137243264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).