3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol

C17H13F3N2O2 — CID 135605514

IUPAC3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c1-24-15-7-6-10(8-13(15)17(18,19)20)21-9-12-11-4-2-3-5-14(11)22-16(12)23/h2-9,22-23H,1H3/b21-9+
InChIKeyCBCSAOODMJGTOJ-ZVBGSRNCSA-N
MW334.30 g/mol
LogP4.65
Rot. Bonds3

About 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol

3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605514) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605514
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c1-24-15-7-6-10(8-13(15)17(18,19)20)21-9-12-11-4-2-3-5-14(11)22-16(12)23/h2-9,22-23H,1H3/b21-9+
InChIKeyCBCSAOODMJGTOJ-ZVBGSRNCSA-N
XLogP4.65
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.65
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-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605232
3-[[4-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605381
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
3-[[4-[ethyl(2-methoxyethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605546
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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605514) is 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol is COc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1C(F)(F)F.
What is the InChIKey of 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is CBCSAOODMJGTOJ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-15-7-6-10(8-13(15)17(18,19)20)21-9-12-11-4-2-3-5-14(11)22-16(12)23/h2-9,22-23H,1H3/b21-9+.
What are the key properties of 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 334.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).