4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid

C19H18FNO3 — CID 59626297

IUPAC4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid
SMILESCc1cccc2c1c1c(F)cc(C(=O)O)cc1n2C1CCOCC1
InChIInChI=1S/C19H18FNO3/c1-11-3-2-4-15-17(11)18-14(20)9-12(19(22)23)10-16(18)21(15)13-5-7-24-8-6-13/h2-4,9-10,13H,5-8H2,1H3,(H,22,23)
InChIKeyKWLVELXJIPQJAG-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.29
Rot. Bonds2

About 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid

4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid (PubChem CID 59626297) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid
PubChem CID59626297
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid
SMILESCc1cccc2c1c1c(F)cc(C(=O)O)cc1n2C1CCOCC1
InChIInChI=1S/C19H18FNO3/c1-11-3-2-4-15-17(11)18-14(20)9-12(19(22)23)10-16(18)21(15)13-5-7-24-8-6-13/h2-4,9-10,13H,5-8H2,1H3,(H,22,23)
InChIKeyKWLVELXJIPQJAG-UHFFFAOYSA-N
XLogP4.29
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid?
The IUPAC name of 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid (CID 59626297) is 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid?
The canonical SMILES for 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid is Cc1cccc2c1c1c(F)cc(C(=O)O)cc1n2C1CCOCC1.
What is the InChIKey of 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid?
The InChIKey is KWLVELXJIPQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-11-3-2-4-15-17(11)18-14(20)9-12(19(22)23)10-16(18)21(15)13-5-7-24-8-6-13/h2-4,9-10,13H,5-8H2,1H3,(H,22,23).
What are the key properties of 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid?
4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-9-(oxan-4-yl)carbazole-2-carboxylic acid is sourced from PubChem (CID 59626297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).