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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Related Compounds

9-(cyclopropylmethyl)carbazole-3-carbonitrile
CID 117368332
9-butylcarbazol-3-ol
CID 140908966
2,14,26-triazadecacyclo[24.10.1.12,9.114,21.03,8.015,20.027,32.033,37.013,39.025,38]nonatriaconta-1(36),3(8),4,6,9(39),10,12,15,17,19,21(38),22,24,27,29,31,33(37),34-octadecaene-6-carbonitrile
CID 162480597
9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
CID 71254092
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951786
9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
CID 71253851
2-[2-[5-(6-cyanonaphthalen-2-yl)oxypentoxy]carbazol-9-yl]acetic acid
CID 58948679
9-(3-chloropropyl)carbazole
CID 14737436
1-[2-(2-chlorophenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951782

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).