9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile

C22H18N2O2 — CID 175316624

IUPAC9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2CCCOc1ccccc1O
InChIInChI=1S/C22H18N2O2/c23-15-16-10-11-20-18(14-16)17-6-1-2-7-19(17)24(20)12-5-13-26-22-9-4-3-8-21(22)25/h1-4,6-11,14,25H,5,12-13H2
InChIKeyAAVLWISVUGCFJH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.84
Rot. Bonds5

About 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile

9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile (PubChem CID 175316624) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile
PubChem CID175316624
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2CCCOc1ccccc1O
InChIInChI=1S/C22H18N2O2/c23-15-16-10-11-20-18(14-16)17-6-1-2-7-19(17)24(20)12-5-13-26-22-9-4-3-8-21(22)25/h1-4,6-11,14,25H,5,12-13H2
InChIKeyAAVLWISVUGCFJH-UHFFFAOYSA-N
XLogP4.84
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile (CID 175316624) is 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2CCCOc1ccccc1O.
What is the InChIKey of 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile?
The InChIKey is AAVLWISVUGCFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-15-16-10-11-20-18(14-16)17-6-1-2-7-19(17)24(20)12-5-13-26-22-9-4-3-8-21(22)25/h1-4,6-11,14,25H,5,12-13H2.
What are the key properties of 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile?
9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile has a molecular weight of 342.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile is sourced from PubChem (CID 175316624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).