3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol

C17H12N2O3 — CID 136500258

IUPAC3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol
SMILESON=Cc1oc(-c2c(O)[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C17H12N2O3/c20-17-15(12-7-3-4-8-13(12)19-17)16-11-6-2-1-5-10(11)14(22-16)9-18-21/h1-9,19-21H
InChIKeyWVTGEWJNABEMSG-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.09
Rot. Bonds2

About 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol

3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol (PubChem CID 136500258) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol
PubChem CID136500258
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol
SMILESON=Cc1oc(-c2c(O)[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C17H12N2O3/c20-17-15(12-7-3-4-8-13(12)19-17)16-11-6-2-1-5-10(11)14(22-16)9-18-21/h1-9,19-21H
InChIKeyWVTGEWJNABEMSG-UHFFFAOYSA-N
XLogP4.09
TPSA81.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
CID 168852579
3-(trifluoromethyl)-1H-indol-2-ol
CID 154142036
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
CID 11959861
(NZ)-N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]hydroxylamine
CID 136702122
3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol
CID 57128043
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
CID 135499828
3-prop-2-enyl-1H-indol-2-ol
CID 141031189
CID 131863122
CID 131863122
3-(cyclooctyliminomethyl)-1H-indol-2-ol
CID 2256129

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol?
The IUPAC name of 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol (CID 136500258) is 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol.
What is the SMILES notation for 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol?
The canonical SMILES for 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol is ON=Cc1oc(-c2c(O)[nH]c3ccccc23)c2ccccc12.
What is the InChIKey of 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol?
The InChIKey is WVTGEWJNABEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17-15(12-7-3-4-8-13(12)19-17)16-11-6-2-1-5-10(11)14(22-16)9-18-21/h1-9,19-21H.
What are the key properties of 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol?
3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol has a molecular weight of 292.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxyiminomethyl)-2-benzofuran-1-yl]-1H-indol-2-ol is sourced from PubChem (CID 136500258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).