(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol

C19H23NO2 — CID 2053269

IUPAC(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
SMILESCCCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H23NO2/c1-2-3-12-22-14-15(21)13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,21H,2-3,12-14H2,1H3/t15-/m0/s1
InChIKeyZJTRSTNIIHRGTJ-HNNXBMFYSA-N
MW297.40 g/mol
LogP3.97
Rot. Bonds7

About (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol

(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol (PubChem CID 2053269) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
PubChem CID2053269
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
SMILESCCCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H23NO2/c1-2-3-12-22-14-15(21)13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,21H,2-3,12-14H2,1H3/t15-/m0/s1
InChIKeyZJTRSTNIIHRGTJ-HNNXBMFYSA-N
XLogP3.97
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
9-(3-ethoxy-2-methylpropyl)carbazole
CID 69165751
9-(2-decyltetradecyl)carbazole
CID 86094421
1-butoxy-3-phenylsulfanylpropan-2-ol
CID 12063877
4-(3-butoxy-2-hydroxypropyl)sulfanylnaphthalen-1-ol
CID 107264134

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol?
The IUPAC name of (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol (CID 2053269) is (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol?
The canonical SMILES for (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol is CCCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol?
The InChIKey is ZJTRSTNIIHRGTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-3-12-22-14-15(21)13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,21H,2-3,12-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol?
(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol is sourced from PubChem (CID 2053269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).