(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol

C13H14ClNO — CID 21452679

IUPAC(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol
SMILESOCC1CCc2c([nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C13H14ClNO/c14-9-2-4-12-11(6-9)10-3-1-8(7-16)5-13(10)15-12/h2,4,6,8,15-16H,1,3,5,7H2
InChIKeyNNXJUWHZIUSTPV-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.92
Rot. Bonds1

About (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol

(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol (PubChem CID 21452679) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol.

Molecular Properties

Compound Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol
PubChem CID21452679
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol
SMILESOCC1CCc2c([nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C13H14ClNO/c14-9-2-4-12-11(6-9)10-3-1-8(7-16)5-13(10)15-12/h2,4,6,8,15-16H,1,3,5,7H2
InChIKeyNNXJUWHZIUSTPV-UHFFFAOYSA-N
XLogP2.92
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.92
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-2-yl)methanol?
The IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol (CID 21452679) is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol.
What is the SMILES notation for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol?
The canonical SMILES for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol is OCC1CCc2c([nH]c3ccc(Cl)cc23)C1.
What is the InChIKey of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol?
The InChIKey is NNXJUWHZIUSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-9-2-4-12-11(6-9)10-3-1-8(7-16)5-13(10)15-12/h2,4,6,8,15-16H,1,3,5,7H2.
What are the key properties of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol?
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methanol has a molecular weight of 235.71 g/mol, XLogP of 2.92, 1 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-2-yl)methanol is sourced from PubChem (CID 21452679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).