4-carbazol-9-ylphenol

C18H13NO — CID 23561880

IUPAC4-carbazol-9-ylphenol
SMILESOc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H13NO/c20-14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,20H
InChIKeyJOYGDTAPXVGLLE-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.49
Rot. Bonds1

About 4-carbazol-9-ylphenol

4-carbazol-9-ylphenol (PubChem CID 23561880) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-carbazol-9-ylphenol.

Molecular Properties

Compound Name4-carbazol-9-ylphenol
PubChem CID23561880
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name4-carbazol-9-ylphenol
SMILESOc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H13NO/c20-14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,20H
InChIKeyJOYGDTAPXVGLLE-UHFFFAOYSA-N
XLogP4.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-ylphenol?
The IUPAC name of 4-carbazol-9-ylphenol (CID 23561880) is 4-carbazol-9-ylphenol.
What is the SMILES notation for 4-carbazol-9-ylphenol?
The canonical SMILES for 4-carbazol-9-ylphenol is Oc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-carbazol-9-ylphenol?
The InChIKey is JOYGDTAPXVGLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c20-14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,20H.
What are the key properties of 4-carbazol-9-ylphenol?
4-carbazol-9-ylphenol has a molecular weight of 259.31 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-ylphenol is sourced from PubChem (CID 23561880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).