3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol

C17H16N2O2 — CID 805001

IUPAC3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/c2cccc(CO)c2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c1-19-16-8-3-2-7-14(16)15(17(19)21)10-18-13-6-4-5-12(9-13)11-20/h2-10,20-21H,11H2,1H3/b18-10+
InChIKeyKJIUUSKTAQYJMX-VCHYOVAHSA-N
MW280.33 g/mol
LogP3.13
Rot. Bonds3

About 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol

3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol (PubChem CID 805001) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol
PubChem CID805001
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/c2cccc(CO)c2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c1-19-16-8-3-2-7-14(16)15(17(19)21)10-18-13-6-4-5-12(9-13)11-20/h2-10,20-21H,11H2,1H3/b18-10+
InChIKeyKJIUUSKTAQYJMX-VCHYOVAHSA-N
XLogP3.13
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol?
The IUPAC name of 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol (CID 805001) is 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol is Cn1c(O)c(/C=N/c2cccc(CO)c2)c2ccccc21.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol?
The InChIKey is KJIUUSKTAQYJMX-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19-16-8-3-2-7-14(16)15(17(19)21)10-18-13-6-4-5-12(9-13)11-20/h2-10,20-21H,11H2,1H3/b18-10+.
What are the key properties of 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol?
3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol has a molecular weight of 280.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1-methylindol-2-ol is sourced from PubChem (CID 805001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).