9-methylfluorene-9-carboxylic acid

C15H12O2 — CID 3587802

IUPAC9-methylfluorene-9-carboxylic acid
SMILESCC1(C(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H12O2/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3,(H,16,17)
InChIKeyPUPWRKQSVGUBQS-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.06
Rot. Bonds1

About 9-methylfluorene-9-carboxylic acid

9-methylfluorene-9-carboxylic acid (PubChem CID 3587802) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 9-methylfluorene-9-carboxylic acid.

Molecular Properties

Compound Name9-methylfluorene-9-carboxylic acid
PubChem CID3587802
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name9-methylfluorene-9-carboxylic acid
SMILESCC1(C(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H12O2/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3,(H,16,17)
InChIKeyPUPWRKQSVGUBQS-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methylfluorene-9-carboxylic acid?
The IUPAC name of 9-methylfluorene-9-carboxylic acid (CID 3587802) is 9-methylfluorene-9-carboxylic acid.
What is the SMILES notation for 9-methylfluorene-9-carboxylic acid?
The canonical SMILES for 9-methylfluorene-9-carboxylic acid is CC1(C(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-methylfluorene-9-carboxylic acid?
The InChIKey is PUPWRKQSVGUBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3,(H,16,17).
What are the key properties of 9-methylfluorene-9-carboxylic acid?
9-methylfluorene-9-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylfluorene-9-carboxylic acid is sourced from PubChem (CID 3587802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).