1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol

C21H25NO2 — CID 2802037

IUPAC1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol
SMILESOC(COC1CCCCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H25NO2/c23-16(15-24-17-8-2-1-3-9-17)14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,16-17,23H,1-3,8-9,14-15H2
InChIKeyVGJQYNSCFDNIPB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.50
Rot. Bonds5

About 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol

1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol (PubChem CID 2802037) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol
PubChem CID2802037
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol
SMILESOC(COC1CCCCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H25NO2/c23-16(15-24-17-8-2-1-3-9-17)14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,16-17,23H,1-3,8-9,14-15H2
InChIKeyVGJQYNSCFDNIPB-UHFFFAOYSA-N
XLogP4.50
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol (CID 2802037) is 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol is OC(COC1CCCCC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol?
The InChIKey is VGJQYNSCFDNIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-16(15-24-17-8-2-1-3-9-17)14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,16-17,23H,1-3,8-9,14-15H2.
What are the key properties of 1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol?
1-carbazol-9-yl-3-cyclohexyloxypropan-2-ol has a molecular weight of 323.44 g/mol, XLogP of 4.50, 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-cyclohexyloxypropan-2-ol is sourced from PubChem (CID 2802037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).