4-carbazol-9-ylbutan-1-ol

C16H17NO — CID 43509865

IUPAC4-carbazol-9-ylbutan-1-ol
SMILESOCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H17NO/c18-12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10,18H,5-6,11-12H2
InChIKeyAAYHPNFUILQYNU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.57
Rot. Bonds4

About 4-carbazol-9-ylbutan-1-ol

4-carbazol-9-ylbutan-1-ol (PubChem CID 43509865) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-carbazol-9-ylbutan-1-ol.

Molecular Properties

Compound Name4-carbazol-9-ylbutan-1-ol
PubChem CID43509865
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-carbazol-9-ylbutan-1-ol
SMILESOCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C16H17NO/c18-12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10,18H,5-6,11-12H2
InChIKeyAAYHPNFUILQYNU-UHFFFAOYSA-N
XLogP3.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-carbazol-9-ylbutan-1-ol?
The IUPAC name of 4-carbazol-9-ylbutan-1-ol (CID 43509865) is 4-carbazol-9-ylbutan-1-ol.
What is the SMILES notation for 4-carbazol-9-ylbutan-1-ol?
The canonical SMILES for 4-carbazol-9-ylbutan-1-ol is OCCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-ylbutan-1-ol?
The InChIKey is AAYHPNFUILQYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-12-6-5-11-17-15-9-3-1-7-13(15)14-8-2-4-10-16(14)17/h1-4,7-10,18H,5-6,11-12H2.
What are the key properties of 4-carbazol-9-ylbutan-1-ol?
4-carbazol-9-ylbutan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-ylbutan-1-ol is sourced from PubChem (CID 43509865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).