1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol

C22H21NO2 — CID 2884521

IUPAC1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H21NO2/c1-16-8-2-7-13-22(16)25-15-17(24)14-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h2-13,17,24H,14-15H2,1H3
InChIKeyAMNNZFVHKIVUCQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.54
Rot. Bonds5

About 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol

1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol (PubChem CID 2884521) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
PubChem CID2884521
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H21NO2/c1-16-8-2-7-13-22(16)25-15-17(24)14-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h2-13,17,24H,14-15H2,1H3
InChIKeyAMNNZFVHKIVUCQ-UHFFFAOYSA-N
XLogP4.54
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 156620728
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
(2S)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 709194
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 28875289
1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
CID 42942526
4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
CID 2947004
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol (CID 2884521) is 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is AMNNZFVHKIVUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16-8-2-7-13-22(16)25-15-17(24)14-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h2-13,17,24H,14-15H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol?
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 331.42 g/mol, XLogP of 4.54, 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-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2884521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).