3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one

C16H15NO4 — CID 2849172

IUPAC3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1
InChIInChI=1S/C16H15NO4/c1-19-12-9-8-11-13(14(12)20-2)16(18)21-15(11)17-10-6-4-3-5-7-10/h3-9,15,17H,1-2H3
InChIKeyRFVVMJCNEJIRRE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.98
Rot. Bonds4

About 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one

3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one (PubChem CID 2849172) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
PubChem CID2849172
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1
InChIInChI=1S/C16H15NO4/c1-19-12-9-8-11-13(14(12)20-2)16(18)21-15(11)17-10-6-4-3-5-7-10/h3-9,15,17H,1-2H3
InChIKeyRFVVMJCNEJIRRE-UHFFFAOYSA-N
XLogP2.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3771406
4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
CID 42649057
(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 914872
3-(4-ethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3627460
(3S)-3-(3-iodoanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657817
3-[[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid
CID 7657786
3-(4-ethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2863991
(3R)-3-[4-(diethylamino)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7574660
(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
(Z)-3-[3-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]phenyl]prop-2-enoic acid
CID 2308646
(3S)-3-(2,3-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657758

Frequently Asked Questions

What is the IUPAC name of 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one?
The IUPAC name of 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one (CID 2849172) is 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one is COc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1.
What is the InChIKey of 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one?
The InChIKey is RFVVMJCNEJIRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-12-9-8-11-13(14(12)20-2)16(18)21-15(11)17-10-6-4-3-5-7-10/h3-9,15,17H,1-2H3.
What are the key properties of 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one?
3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one has a molecular weight of 285.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 2849172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).