(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one

C17H18N2O4 — CID 909136

IUPAC(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2NNc1ccccc1C
InChIInChI=1S/C17H18N2O4/c1-10-6-4-5-7-12(10)18-19-16-11-8-9-13(21-2)15(22-3)14(11)17(20)23-16/h4-9,16,18-19H,1-3H3/t16-/m1/s1
InChIKeyCVGFIWZMJRLQHL-MRXNPFEDSA-N
MW314.34 g/mol
LogP2.80
Rot. Bonds5

About (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one

(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one (PubChem CID 909136) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one
PubChem CID909136
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2NNc1ccccc1C
InChIInChI=1S/C17H18N2O4/c1-10-6-4-5-7-12(10)18-19-16-11-8-9-13(21-2)15(22-3)14(11)17(20)23-16/h4-9,16,18-19H,1-3H3/t16-/m1/s1
InChIKeyCVGFIWZMJRLQHL-MRXNPFEDSA-N
XLogP2.80
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2,3-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657758
(3R)-3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 949985
3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3807565
3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2849172
(3R)-3-(2-hydroxy-6-methylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657778
3-(5-fluoro-2-methylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 42649147
(3S)-3-[2-(2,4-dinitrophenyl)hydrazinyl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 40851678
(3R)-3-(2-ethyl-6-methylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 950529
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide
CID 7657917
6,7-dimethoxy-3-(2-nitroanilino)-3H-2-benzofuran-1-one
CID 2863981
3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3771406
(3S)-6,7-dimethoxy-3-[(6-methyl-2-pyridinyl)amino]-3H-2-benzofuran-1-one
CID 712003

Frequently Asked Questions

What is the IUPAC name of (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one (CID 909136) is (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)O[C@H]2NNc1ccccc1C.
What is the InChIKey of (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one?
The InChIKey is CVGFIWZMJRLQHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10-6-4-5-7-12(10)18-19-16-11-8-9-13(21-2)15(22-3)14(11)17(20)23-16/h4-9,16,18-19H,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one?
(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one has a molecular weight of 314.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 909136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).