5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol

C17H15ClN2O3 — CID 135605392

IUPAC5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)cc(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-22-12-6-11(7-13(8-12)23-2)19-9-15-14-5-10(18)3-4-16(14)20-17(15)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyBLLYVVKRNRNDFA-DJKKODMXSA-N
MW330.77 g/mol
LogP4.29
Rot. Bonds4

About 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol

5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 135605392) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID135605392
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)cc(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-22-12-6-11(7-13(8-12)23-2)19-9-15-14-5-10(18)3-4-16(14)20-17(15)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyBLLYVVKRNRNDFA-DJKKODMXSA-N
XLogP4.29
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135433555
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
5-chloro-3-[[4-(hydroxymethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482145
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)methylideneamino]benzonitrile
CID 136996433
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006304
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
methyl 2-[(5-chloro-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 136996242
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol (CID 135605392) is 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol is COc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)cc(OC)c1.
What is the InChIKey of 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is BLLYVVKRNRNDFA-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-12-6-11(7-13(8-12)23-2)19-9-15-14-5-10(18)3-4-16(14)20-17(15)21/h3-9,20-21H,1-2H3/b19-9+.
What are the key properties of 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 330.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).