3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol

C16H14N2O3 — CID 135605056

IUPAC3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1O
InChIInChI=1S/C16H14N2O3/c1-21-15-7-6-10(8-14(15)19)17-9-12-11-4-2-3-5-13(11)18-16(12)20/h2-9,18-20H,1H3/b17-9+
InChIKeyYDAIZWHDGXANEF-RQZCQDPDSA-N
MW282.30 g/mol
LogP3.34
Rot. Bonds3

About 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol

3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 135605056) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID135605056
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1O
InChIInChI=1S/C16H14N2O3/c1-21-15-7-6-10(8-14(15)19)17-9-12-11-4-2-3-5-13(11)18-16(12)20/h2-9,18-20H,1H3/b17-9+
InChIKeyYDAIZWHDGXANEF-RQZCQDPDSA-N
XLogP3.34
TPSA77.84 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 ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide
CID 135441253
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605232
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605545

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol (CID 135605056) is 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol is COc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1O.
What is the InChIKey of 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is YDAIZWHDGXANEF-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-15-7-6-10(8-14(15)19)17-9-12-11-4-2-3-5-13(11)18-16(12)20/h2-9,18-20H,1H3/b17-9+.
What are the key properties of 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 282.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).