3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol

C17H16N2O2 — CID 136996528

IUPAC3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-8-16-14(9-11)15(17(20)19-16)10-18-12-4-6-13(21-2)7-5-12/h3-10,19-20H,1-2H3/b18-10+
InChIKeyHBWYCRHQBCTOST-VCHYOVAHSA-N
MW280.33 g/mol
LogP3.94
Rot. Bonds3

About 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol

3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol (PubChem CID 136996528) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
PubChem CID136996528
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-8-16-14(9-11)15(17(20)19-16)10-18-12-4-6-13(21-2)7-5-12/h3-10,19-20H,1-2H3/b18-10+
InChIKeyHBWYCRHQBCTOST-VCHYOVAHSA-N
XLogP3.94
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.94
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-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)methylideneamino]benzonitrile
CID 136996433
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996538
4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
CID 137107988
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
CID 136996443

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol (CID 136996528) is 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol is COc1ccc(/N=C/c2c(O)[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
The InChIKey is HBWYCRHQBCTOST-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-8-16-14(9-11)15(17(20)19-16)10-18-12-4-6-13(21-2)7-5-12/h3-10,19-20H,1-2H3/b18-10+.
What are the key properties of 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol?
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol has a molecular weight of 280.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol is sourced from PubChem (CID 136996528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).