6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol

C20H16N2O3 — CID 135581614

IUPAC6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccccc1/N=C/c1c(O)[nH]c2cc(-c3ccco3)ccc12
InChIInChI=1S/C20H16N2O3/c1-24-19-6-3-2-5-16(19)21-12-15-14-9-8-13(18-7-4-10-25-18)11-17(14)22-20(15)23/h2-12,22-23H,1H3/b21-12+
InChIKeyWITRUYCCBRRVTN-CIAFOILYSA-N
MW332.36 g/mol
LogP4.89
Rot. Bonds4

About 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol

6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 135581614) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID135581614
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccccc1/N=C/c1c(O)[nH]c2cc(-c3ccco3)ccc12
InChIInChI=1S/C20H16N2O3/c1-24-19-6-3-2-5-16(19)21-12-15-14-9-8-13(18-7-4-10-25-18)11-17(14)22-20(15)23/h2-12,22-23H,1H3/b21-12+
InChIKeyWITRUYCCBRRVTN-CIAFOILYSA-N
XLogP4.89
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol (CID 135581614) is 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol is COc1ccccc1/N=C/c1c(O)[nH]c2cc(-c3ccco3)ccc12.
What is the InChIKey of 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is WITRUYCCBRRVTN-CIAFOILYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-24-19-6-3-2-5-16(19)21-12-15-14-9-8-13(18-7-4-10-25-18)11-17(14)22-20(15)23/h2-12,22-23H,1H3/b21-12+.
What are the key properties of 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 332.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135581614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).