9-octylcarbazol-2-ol

C20H25NO — CID 15208713

IUPAC9-octylcarbazol-2-ol
SMILESCCCCCCCCn1c2ccccc2c2ccc(O)cc21
InChIInChI=1S/C20H25NO/c1-2-3-4-5-6-9-14-21-19-11-8-7-10-17(19)18-13-12-16(22)15-20(18)21/h7-8,10-13,15,22H,2-6,9,14H2,1H3
InChIKeyYKLDNHOPFKEADH-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.86
Rot. Bonds7

About 9-octylcarbazol-2-ol

9-octylcarbazol-2-ol (PubChem CID 15208713) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 9-octylcarbazol-2-ol.

Molecular Properties

Compound Name9-octylcarbazol-2-ol
PubChem CID15208713
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name9-octylcarbazol-2-ol
SMILESCCCCCCCCn1c2ccccc2c2ccc(O)cc21
InChIInChI=1S/C20H25NO/c1-2-3-4-5-6-9-14-21-19-11-8-7-10-17(19)18-13-12-16(22)15-20(18)21/h7-8,10-13,15,22H,2-6,9,14H2,1H3
InChIKeyYKLDNHOPFKEADH-UHFFFAOYSA-N
XLogP5.86
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.86
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 9-octylcarbazol-2-ol?
The IUPAC name of 9-octylcarbazol-2-ol (CID 15208713) is 9-octylcarbazol-2-ol.
What is the SMILES notation for 9-octylcarbazol-2-ol?
The canonical SMILES for 9-octylcarbazol-2-ol is CCCCCCCCn1c2ccccc2c2ccc(O)cc21.
What is the InChIKey of 9-octylcarbazol-2-ol?
The InChIKey is YKLDNHOPFKEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-3-4-5-6-9-14-21-19-11-8-7-10-17(19)18-13-12-16(22)15-20(18)21/h7-8,10-13,15,22H,2-6,9,14H2,1H3.
What are the key properties of 9-octylcarbazol-2-ol?
9-octylcarbazol-2-ol has a molecular weight of 295.43 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octylcarbazol-2-ol is sourced from PubChem (CID 15208713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).