1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol

C23H23NO2 — CID 2879841

IUPAC1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23NO2/c1-16-8-7-9-17(2)23(16)26-15-18(25)14-24-21-12-5-3-10-19(21)20-11-4-6-13-22(20)24/h3-13,18,25H,14-15H2,1-2H3
InChIKeyVRAVGONSKLKQHA-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.85
Rot. Bonds5

About 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol

1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol (PubChem CID 2879841) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol
PubChem CID2879841
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H23NO2/c1-16-8-7-9-17(2)23(16)26-15-18(25)14-24-21-12-5-3-10-19(21)20-11-4-6-13-22(20)24/h3-13,18,25H,14-15H2,1-2H3
InChIKeyVRAVGONSKLKQHA-UHFFFAOYSA-N
XLogP4.85
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2585
Carazolol
CID 71739
Bucindolol
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(-)-Carvedilol
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Carvedilol, (+)-
CID 185394
(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid
CID 446758
Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-, hydrochloride (1:1)
CID 51044
(S)-carazolol
CID 13023332
N-{4-[3-(9H-carbazol-9-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 3124282
Fluorocarazolol
CID 133038
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide
CID 2888752
Nnc052090
CID 9888030

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol (CID 2879841) is 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol is Cc1cccc(C)c1OCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol?
The InChIKey is VRAVGONSKLKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-16-8-7-9-17(2)23(16)26-15-18(25)14-24-21-12-5-3-10-19(21)20-11-4-6-13-22(20)24/h3-13,18,25H,14-15H2,1-2H3.
What are the key properties of 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol?
1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol has a molecular weight of 345.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(2,6-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 2879841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).