(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone

C16H14N2O3 — CID 91015515

IUPAC(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)c3cc(O)cc(ON)c3)cc2c1
InChIInChI=1S/C16H14N2O3/c1-9-2-3-14-10(4-9)7-15(18-14)16(20)11-5-12(19)8-13(6-11)21-17/h2-8,18-19H,17H2,1H3
InChIKeyJWUYGGZKZYIZNT-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.67
Rot. Bonds3

About (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone

(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 91015515) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone
PubChem CID91015515
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)c3cc(O)cc(ON)c3)cc2c1
InChIInChI=1S/C16H14N2O3/c1-9-2-3-14-10(4-9)7-15(18-14)16(20)11-5-12(19)8-13(6-11)21-17/h2-8,18-19H,17H2,1H3
InChIKeyJWUYGGZKZYIZNT-UHFFFAOYSA-N
XLogP2.67
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
(5-hydroxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 11666441
(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 59088763
ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate
CID 145277131
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate
CID 11142302
[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate
CID 59088764
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116

Frequently Asked Questions

What is the IUPAC name of (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone (CID 91015515) is (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)c3cc(O)cc(ON)c3)cc2c1.
What is the InChIKey of (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is JWUYGGZKZYIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-2-3-14-10(4-9)7-15(18-14)16(20)11-5-12(19)8-13(6-11)21-17/h2-8,18-19H,17H2,1H3.
What are the key properties of (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone?
(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 282.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 91015515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).