6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol

C18H16ClNO — CID 21393601

IUPAC6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol
SMILESOC1CCc2[nH]c3ccc(-c4ccc(Cl)cc4)cc3c2C1
InChIInChI=1S/C18H16ClNO/c19-13-4-1-11(2-5-13)12-3-7-17-15(9-12)16-10-14(21)6-8-18(16)20-17/h1-5,7,9,14,20-21H,6,8,10H2
InChIKeyAIHBFXSTXZAQPE-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.34
Rot. Bonds1

About 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol

6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol (PubChem CID 21393601) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol
PubChem CID21393601
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol
SMILESOC1CCc2[nH]c3ccc(-c4ccc(Cl)cc4)cc3c2C1
InChIInChI=1S/C18H16ClNO/c19-13-4-1-11(2-5-13)12-3-7-17-15(9-12)16-10-14(21)6-8-18(16)20-17/h1-5,7,9,14,20-21H,6,8,10H2
InChIKeyAIHBFXSTXZAQPE-UHFFFAOYSA-N
XLogP4.34
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.34
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-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
The IUPAC name of 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol (CID 21393601) is 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol.
What is the SMILES notation for 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
The canonical SMILES for 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol is OC1CCc2[nH]c3ccc(-c4ccc(Cl)cc4)cc3c2C1.
What is the InChIKey of 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
The InChIKey is AIHBFXSTXZAQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-13-4-1-11(2-5-13)12-3-7-17-15(9-12)16-10-14(21)6-8-18(16)20-17/h1-5,7,9,14,20-21H,6,8,10H2.
What are the key properties of 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol?
6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol has a molecular weight of 297.79 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-3-ol is sourced from PubChem (CID 21393601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).