6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde

C17H17NO2 — CID 71481983

IUPAC6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde
SMILESCC(C)(C)c1ccc2[nH]c3cc(O)c(C=O)cc3c2c1
InChIInChI=1S/C17H17NO2/c1-17(2,3)11-4-5-14-13(7-11)12-6-10(9-19)16(20)8-15(12)18-14/h4-9,18,20H,1-3H3
InChIKeyBTPUAJXVSLHGCP-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.14
Rot. Bonds1

About 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde

6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde (PubChem CID 71481983) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde
PubChem CID71481983
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde
SMILESCC(C)(C)c1ccc2[nH]c3cc(O)c(C=O)cc3c2c1
InChIInChI=1S/C17H17NO2/c1-17(2,3)11-4-5-14-13(7-11)12-6-10(9-19)16(20)8-15(12)18-14/h4-9,18,20H,1-3H3
InChIKeyBTPUAJXVSLHGCP-UHFFFAOYSA-N
XLogP4.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde?
The IUPAC name of 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde (CID 71481983) is 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde is CC(C)(C)c1ccc2[nH]c3cc(O)c(C=O)cc3c2c1.
What is the InChIKey of 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde?
The InChIKey is BTPUAJXVSLHGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(2,3)11-4-5-14-13(7-11)12-6-10(9-19)16(20)8-15(12)18-14/h4-9,18,20H,1-3H3.
What are the key properties of 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde?
6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-hydroxy-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 71481983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).