4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

C19H16FNO3 — CID 66606320

IUPAC4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2F)c2c3c([nH]c12)CCC(O)C3
InChIInChI=1S/C19H16FNO3/c20-15-4-2-1-3-11(15)12-6-7-13(19(23)24)18-17(12)14-9-10(22)5-8-16(14)21-18/h1-4,6-7,10,21-22H,5,8-9H2,(H,23,24)
InChIKeyABOFOROMUDMECY-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.52
Rot. Bonds2

About 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (PubChem CID 66606320) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
PubChem CID66606320
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2F)c2c3c([nH]c12)CCC(O)C3
InChIInChI=1S/C19H16FNO3/c20-15-4-2-1-3-11(15)12-6-7-13(19(23)24)18-17(12)14-9-10(22)5-8-16(14)21-18/h1-4,6-7,10,21-22H,5,8-9H2,(H,23,24)
InChIKeyABOFOROMUDMECY-UHFFFAOYSA-N
XLogP3.52
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (CID 66606320) is 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is O=C(O)c1ccc(-c2ccccc2F)c2c3c([nH]c12)CCC(O)C3.
What is the InChIKey of 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The InChIKey is ABOFOROMUDMECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c20-15-4-2-1-3-11(15)12-6-7-13(19(23)24)18-17(12)14-9-10(22)5-8-16(14)21-18/h1-4,6-7,10,21-22H,5,8-9H2,(H,23,24).
What are the key properties of 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid has a molecular weight of 325.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is sourced from PubChem (CID 66606320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).