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

C16H14N2O2 — CID 2859794

IUPAC3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)19/h2-10,18-19H,1H3/b17-10+
InChIKeyKWGCWJOFSCJHJP-LICLKQGHSA-N
MW266.30 g/mol
LogP3.63
Rot. Bonds3

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

3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 2859794) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID2859794
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)19/h2-10,18-19H,1H3/b17-10+
InChIKeyKWGCWJOFSCJHJP-LICLKQGHSA-N
XLogP3.63
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol (CID 2859794) is 3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol is COc1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is KWGCWJOFSCJHJP-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)19/h2-10,18-19H,1H3/b17-10+.
What are the key properties of 3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol?
3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 266.30 g/mol, XLogP of 3.63, 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]-1H-indol-2-ol is sourced from PubChem (CID 2859794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).