methyl 9H-fluorene-4-carboxylate

C15H12O2 — CID 2857142

IUPACmethyl 9H-fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C15H12O2/c1-17-15(16)13-8-4-6-11-9-10-5-2-3-7-12(10)14(11)13/h2-8H,9H2,1H3
InChIKeyLWUKGURDMGKPGZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.04
Rot. Bonds1

About methyl 9H-fluorene-4-carboxylate

methyl 9H-fluorene-4-carboxylate (PubChem CID 2857142) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 9H-fluorene-4-carboxylate.

Molecular Properties

Compound Namemethyl 9H-fluorene-4-carboxylate
PubChem CID2857142
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Namemethyl 9H-fluorene-4-carboxylate
SMILESCOC(=O)c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C15H12O2/c1-17-15(16)13-8-4-6-11-9-10-5-2-3-7-12(10)14(11)13/h2-8H,9H2,1H3
InChIKeyLWUKGURDMGKPGZ-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 9H-fluorene-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 9H-fluorene-4-carboxylate?
The IUPAC name of methyl 9H-fluorene-4-carboxylate (CID 2857142) is methyl 9H-fluorene-4-carboxylate.
What is the SMILES notation for methyl 9H-fluorene-4-carboxylate?
The canonical SMILES for methyl 9H-fluorene-4-carboxylate is COC(=O)c1cccc2c1-c1ccccc1C2.
What is the InChIKey of methyl 9H-fluorene-4-carboxylate?
The InChIKey is LWUKGURDMGKPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-17-15(16)13-8-4-6-11-9-10-5-2-3-7-12(10)14(11)13/h2-8H,9H2,1H3.
What are the key properties of methyl 9H-fluorene-4-carboxylate?
methyl 9H-fluorene-4-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9H-fluorene-4-carboxylate is sourced from PubChem (CID 2857142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).