4-(1H-indol-6-yliminomethyl)-3-methoxyphenol

C16H14N2O2 — CID 135609841

IUPAC4-(1H-indol-6-yliminomethyl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1/C=N/c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H14N2O2/c1-20-16-9-14(19)5-3-12(16)10-18-13-4-2-11-6-7-17-15(11)8-13/h2-10,17,19H,1H3/b18-10+
InChIKeyIWZDPDSMLSNUNH-VCHYOVAHSA-N
MW266.30 g/mol
LogP3.63
Rot. Bonds3

About 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol

4-(1H-indol-6-yliminomethyl)-3-methoxyphenol (PubChem CID 135609841) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol.

Molecular Properties

Compound Name4-(1H-indol-6-yliminomethyl)-3-methoxyphenol
PubChem CID135609841
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(1H-indol-6-yliminomethyl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1/C=N/c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H14N2O2/c1-20-16-9-14(19)5-3-12(16)10-18-13-4-2-11-6-7-17-15(11)8-13/h2-10,17,19H,1H3/b18-10+
InChIKeyIWZDPDSMLSNUNH-VCHYOVAHSA-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 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol?
The IUPAC name of 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol (CID 135609841) is 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol.
What is the SMILES notation for 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol?
The canonical SMILES for 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol is COc1cc(O)ccc1/C=N/c1ccc2cc[nH]c2c1.
What is the InChIKey of 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol?
The InChIKey is IWZDPDSMLSNUNH-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16-9-14(19)5-3-12(16)10-18-13-4-2-11-6-7-17-15(11)8-13/h2-10,17,19H,1H3/b18-10+.
What are the key properties of 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol?
4-(1H-indol-6-yliminomethyl)-3-methoxyphenol 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 4-(1H-indol-6-yliminomethyl)-3-methoxyphenol is sourced from PubChem (CID 135609841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).