8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole

C18H25NO — CID 135195918

IUPAC8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole
SMILESCCCCCCOC1=CC=CC2C3=CCCC=C3NC12
InChIInChI=1S/C18H25NO/c1-2-3-4-7-13-20-17-12-8-10-15-14-9-5-6-11-16(14)19-18(15)17/h8-12,15,18-19H,2-7,13H2,1H3
InChIKeyYXCJOLUNFAYNPB-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.23
Rot. Bonds6

About 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole

8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole (PubChem CID 135195918) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole.

Molecular Properties

Compound Name8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole
PubChem CID135195918
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole
SMILESCCCCCCOC1=CC=CC2C3=CCCC=C3NC12
InChIInChI=1S/C18H25NO/c1-2-3-4-7-13-20-17-12-8-10-15-14-9-5-6-11-16(14)19-18(15)17/h8-12,15,18-19H,2-7,13H2,1H3
InChIKeyYXCJOLUNFAYNPB-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.23
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 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole?
The IUPAC name of 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole (CID 135195918) is 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole.
What is the SMILES notation for 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole?
The canonical SMILES for 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole is CCCCCCOC1=CC=CC2C3=CCCC=C3NC12.
What is the InChIKey of 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole?
The InChIKey is YXCJOLUNFAYNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-7-13-20-17-12-8-10-15-14-9-5-6-11-16(14)19-18(15)17/h8-12,15,18-19H,2-7,13H2,1H3.
What are the key properties of 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole?
8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole has a molecular weight of 271.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole is sourced from PubChem (CID 135195918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).