1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone

C18H16N2O3 — CID 870605

IUPAC1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
SMILESCOc1ccc(/N=C/c2c(O)c3ccccc3n2C(C)=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)20-16-6-4-3-5-15(16)18(22)17(20)11-19-13-7-9-14(23-2)10-8-13/h3-11,22H,1-2H3/b19-11+
InChIKeyIIHKAHBOILFNBK-YBFXNURJSA-N
MW308.34 g/mol
LogP3.77
Rot. Bonds3

About 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone

1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone (PubChem CID 870605) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
PubChem CID870605
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
SMILESCOc1ccc(/N=C/c2c(O)c3ccccc3n2C(C)=O)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)20-16-6-4-3-5-15(16)18(22)17(20)11-19-13-7-9-14(23-2)10-8-13/h3-11,22H,1-2H3/b19-11+
InChIKeyIIHKAHBOILFNBK-YBFXNURJSA-N
XLogP3.77
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3,4-dimethoxyphenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
CID 177379988
1-[2-[(4-anilinophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
CID 177380005
1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
CID 177379986
2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
CID 867421
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
CID 135462299
1-carbazol-9-yl-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]ethanone
CID 24864633
2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1-methylindol-3-ol
CID 166008912
2-(2,5-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one
CID 4897674
1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone
CID 135441590
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone (CID 870605) is 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone is COc1ccc(/N=C/c2c(O)c3ccccc3n2C(C)=O)cc1.
What is the InChIKey of 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
The InChIKey is IIHKAHBOILFNBK-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)20-16-6-4-3-5-15(16)18(22)17(20)11-19-13-7-9-14(23-2)10-8-13/h3-11,22H,1-2H3/b19-11+.
What are the key properties of 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone is sourced from PubChem (CID 870605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).