3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol

C17H15ClN2O2 — CID 136996523

IUPAC3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
SMILESCOc1ccc(Cl)cc1/N=C/c1c(O)[nH]c2ccc(C)cc12
InChIInChI=1S/C17H15ClN2O2/c1-10-3-5-14-12(7-10)13(17(21)20-14)9-19-15-8-11(18)4-6-16(15)22-2/h3-9,20-21H,1-2H3/b19-9+
InChIKeyOIZRLPVENNISPR-DJKKODMXSA-N
MW314.77 g/mol
LogP4.59
Rot. Bonds3

About 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol

3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol (PubChem CID 136996523) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
PubChem CID136996523
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
SMILESCOc1ccc(Cl)cc1/N=C/c1c(O)[nH]c2ccc(C)cc12
InChIInChI=1S/C17H15ClN2O2/c1-10-3-5-14-12(7-10)13(17(21)20-14)9-19-15-8-11(18)4-6-16(15)22-2/h3-9,20-21H,1-2H3/b19-9+
InChIKeyOIZRLPVENNISPR-DJKKODMXSA-N
XLogP4.59
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
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
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135863199

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol (CID 136996523) is 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol is COc1ccc(Cl)cc1/N=C/c1c(O)[nH]c2ccc(C)cc12.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
The InChIKey is OIZRLPVENNISPR-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-3-5-14-12(7-10)13(17(21)20-14)9-19-15-8-11(18)4-6-16(15)22-2/h3-9,20-21H,1-2H3/b19-9+.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol has a molecular weight of 314.77 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol is sourced from PubChem (CID 136996523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).