2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol

C20H15NO3 — CID 138965195

IUPAC2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol
SMILESCc1ccc(/N=C(\c2ccco2)c2oc3ccccc3c2O)cc1
InChIInChI=1S/C20H15NO3/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-19(22)15-5-2-3-6-16(15)24-20/h2-12,22H,1H3/b21-18+
InChIKeyODUSSYUOBSWZQN-DYTRJAOYSA-N
MW317.34 g/mol
LogP5.21
Rot. Bonds3

About 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol

2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol (PubChem CID 138965195) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol
PubChem CID138965195
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol
SMILESCc1ccc(/N=C(\c2ccco2)c2oc3ccccc3c2O)cc1
InChIInChI=1S/C20H15NO3/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-19(22)15-5-2-3-6-16(15)24-20/h2-12,22H,1H3/b21-18+
InChIKeyODUSSYUOBSWZQN-DYTRJAOYSA-N
XLogP5.21
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.34
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide
CID 11994827
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
4-hydroxy-3-[(4-methylphenyl)methyl]chromen-2-one
CID 76852674
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
1-benzofuran-2,3-diol
CID 22994886
N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 7501964
4-hydroxy-3-methylchromen-2-one
CID 54687016
N-[2-(furan-2-carbonyl)-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2465499
3-[(E)-2-(furan-2-yl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284966
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 17014016
2-[(Z)-C-(furan-2-yl)-N-hydroxycarbonimidoyl]phenol
CID 135463584
4-hydroxy-3-[(3-methylphenyl)methyl]chromen-2-one
CID 173160792

Frequently Asked Questions

What is the IUPAC name of 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol?
The IUPAC name of 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol (CID 138965195) is 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol.
What is the SMILES notation for 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol?
The canonical SMILES for 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol is Cc1ccc(/N=C(\c2ccco2)c2oc3ccccc3c2O)cc1.
What is the InChIKey of 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol?
The InChIKey is ODUSSYUOBSWZQN-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-19(22)15-5-2-3-6-16(15)24-20/h2-12,22H,1H3/b21-18+.
What are the key properties of 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol?
2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol has a molecular weight of 317.34 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol is sourced from PubChem (CID 138965195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).