methyl 2-methyl-9H-fluorene-9-carboxylate

C16H14O2 — CID 139254055

IUPACmethyl 2-methyl-9H-fluorene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C16H14O2/c1-10-7-8-12-11-5-3-4-6-13(11)15(14(12)9-10)16(17)18-2/h3-9,15H,1-2H3
InChIKeyLJSLZFFPLRYVPD-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.28
Rot. Bonds1

About methyl 2-methyl-9H-fluorene-9-carboxylate

methyl 2-methyl-9H-fluorene-9-carboxylate (PubChem CID 139254055) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-methyl-9H-fluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-9H-fluorene-9-carboxylate
PubChem CID139254055
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-methyl-9H-fluorene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C16H14O2/c1-10-7-8-12-11-5-3-4-6-13(11)15(14(12)9-10)16(17)18-2/h3-9,15H,1-2H3
InChIKeyLJSLZFFPLRYVPD-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-methyl-9H-fluorene-9-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 2-methyl-9H-fluorene-9-carboxylate?
The IUPAC name of methyl 2-methyl-9H-fluorene-9-carboxylate (CID 139254055) is methyl 2-methyl-9H-fluorene-9-carboxylate.
What is the SMILES notation for methyl 2-methyl-9H-fluorene-9-carboxylate?
The canonical SMILES for methyl 2-methyl-9H-fluorene-9-carboxylate is COC(=O)C1c2ccccc2-c2ccc(C)cc21.
What is the InChIKey of methyl 2-methyl-9H-fluorene-9-carboxylate?
The InChIKey is LJSLZFFPLRYVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-10-7-8-12-11-5-3-4-6-13(11)15(14(12)9-10)16(17)18-2/h3-9,15H,1-2H3.
What are the key properties of methyl 2-methyl-9H-fluorene-9-carboxylate?
methyl 2-methyl-9H-fluorene-9-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-9H-fluorene-9-carboxylate is sourced from PubChem (CID 139254055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).