6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol

C17H15ClN2O3 — CID 137006458

IUPAC6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3cc(Cl)ccc23)c(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-22-11-4-6-14(16(8-11)23-2)19-9-13-12-5-3-10(18)7-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyVMTWTBBZVQTDGS-DJKKODMXSA-N
MW330.77 g/mol
LogP4.29
Rot. Bonds4

About 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol

6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006458) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006458
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3cc(Cl)ccc23)c(OC)c1
InChIInChI=1S/C17H15ClN2O3/c1-22-11-4-6-14(16(8-11)23-2)19-9-13-12-5-3-10(18)7-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+
InChIKeyVMTWTBBZVQTDGS-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-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
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)methanimine
CID 91664646
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135581614
6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006510
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol (CID 137006458) is 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol is COc1ccc(/N=C/c2c(O)[nH]c3cc(Cl)ccc23)c(OC)c1.
What is the InChIKey of 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is VMTWTBBZVQTDGS-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-11-4-6-14(16(8-11)23-2)19-9-13-12-5-3-10(18)7-15(12)20-17(13)21/h3-9,20-21H,1-2H3/b19-9+.
What are the key properties of 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol?
6-chloro-3-[(2,4-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 6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).