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

C22H29NO2 — CID 602050

IUPAC1-carbazol-9-yl-3-heptoxypropan-2-ol
SMILESCCCCCCCOCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-10-15-25-17-18(24)16-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,18,24H,2-5,10,15-17H2,1H3
InChIKeyHBFJWLNFOWOXPF-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.14
Rot. Bonds10

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

1-carbazol-9-yl-3-heptoxypropan-2-ol (PubChem CID 602050) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-heptoxypropan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-heptoxypropan-2-ol
PubChem CID602050
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-carbazol-9-yl-3-heptoxypropan-2-ol
SMILESCCCCCCCOCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-10-15-25-17-18(24)16-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,18,24H,2-5,10,15-17H2,1H3
InChIKeyHBFJWLNFOWOXPF-UHFFFAOYSA-N
XLogP5.14
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.14
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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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-heptoxypropan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-heptoxypropan-2-ol (CID 602050) is 1-carbazol-9-yl-3-heptoxypropan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-heptoxypropan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-heptoxypropan-2-ol is CCCCCCCOCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-heptoxypropan-2-ol?
The InChIKey is HBFJWLNFOWOXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-3-4-5-10-15-25-17-18(24)16-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,18,24H,2-5,10,15-17H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-heptoxypropan-2-ol?
1-carbazol-9-yl-3-heptoxypropan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 5.14, 10 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-heptoxypropan-2-ol is sourced from PubChem (CID 602050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).