6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol

C12H12ClNO — CID 12891823

IUPAC6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol
SMILESOC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C12H12ClNO/c13-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)14-11/h1,3,5,8,14-15H,2,4,6H2
InChIKeyRRLMGKSFHNZBGB-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.67
Rot. Bonds

About 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol

6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol (PubChem CID 12891823) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol.

Molecular Properties

Compound Name6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol
PubChem CID12891823
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol
SMILESOC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C12H12ClNO/c13-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)14-11/h1,3,5,8,14-15H,2,4,6H2
InChIKeyRRLMGKSFHNZBGB-UHFFFAOYSA-N
XLogP2.67
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
The IUPAC name of 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol (CID 12891823) is 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol.
What is the SMILES notation for 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
The canonical SMILES for 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol is OC1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
The InChIKey is RRLMGKSFHNZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)14-11/h1,3,5,8,14-15H,2,4,6H2.
What are the key properties of 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol has a molecular weight of 221.69 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-ol is sourced from PubChem (CID 12891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).