4-indol-1-ylphenol

C14H11NO — CID 16655672

IUPAC4-indol-1-ylphenol
SMILESOc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C14H11NO/c16-13-7-5-12(6-8-13)15-10-9-11-3-1-2-4-14(11)15/h1-10,16H
InChIKeyNCLYASZGRPCNLM-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.34
Rot. Bonds1

About 4-indol-1-ylphenol

4-indol-1-ylphenol (PubChem CID 16655672) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-indol-1-ylphenol.

Molecular Properties

Compound Name4-indol-1-ylphenol
PubChem CID16655672
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-indol-1-ylphenol
SMILESOc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C14H11NO/c16-13-7-5-12(6-8-13)15-10-9-11-3-1-2-4-14(11)15/h1-10,16H
InChIKeyNCLYASZGRPCNLM-UHFFFAOYSA-N
XLogP3.34
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-ylphenol?
The IUPAC name of 4-indol-1-ylphenol (CID 16655672) is 4-indol-1-ylphenol.
What is the SMILES notation for 4-indol-1-ylphenol?
The canonical SMILES for 4-indol-1-ylphenol is Oc1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 4-indol-1-ylphenol?
The InChIKey is NCLYASZGRPCNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-13-7-5-12(6-8-13)15-10-9-11-3-1-2-4-14(11)15/h1-10,16H.
What are the key properties of 4-indol-1-ylphenol?
4-indol-1-ylphenol has a molecular weight of 209.25 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-ylphenol is sourced from PubChem (CID 16655672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).