1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol

C23H27NO — CID 5353739

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)c(C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C23H27NO/c1-15(2)8-7-9-16(3)12-13-19-22-20(14-17(4)23(19)25)18-10-5-6-11-21(18)24-22/h5-6,8,10-12,14,24-25H,7,9,13H2,1-4H3/b16-12+
InChIKeyJSSIAXXILAGJKE-FOWTUZBSSA-N
MW333.48 g/mol
LogP6.57
Rot. Bonds5

About 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol

1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol (PubChem CID 5353739) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol
PubChem CID5353739
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)c(C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C23H27NO/c1-15(2)8-7-9-16(3)12-13-19-22-20(14-17(4)23(19)25)18-10-5-6-11-21(18)24-22/h5-6,8,10-12,14,24-25H,7,9,13H2,1-4H3/b16-12+
InChIKeyJSSIAXXILAGJKE-FOWTUZBSSA-N
XLogP6.57
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol (CID 5353739) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol is CC(C)=CCC/C(C)=C/Cc1c(O)c(C)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol?
The InChIKey is JSSIAXXILAGJKE-FOWTUZBSSA-N. The full InChI is InChI=1S/C23H27NO/c1-15(2)8-7-9-16(3)12-13-19-22-20(14-17(4)23(19)25)18-10-5-6-11-21(18)24-22/h5-6,8,10-12,14,24-25H,7,9,13H2,1-4H3/b16-12+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol has a molecular weight of 333.48 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-9H-carbazol-2-ol is sourced from PubChem (CID 5353739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).