4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione

C15H14O3 — CID 102105166

IUPAC4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione
SMILESCOC12C=CC(=O)CC1C(=O)c1cccc(C)c12
InChIInChI=1S/C15H14O3/c1-9-4-3-5-11-13(9)15(18-2)7-6-10(16)8-12(15)14(11)17/h3-7,12H,8H2,1-2H3
InChIKeyGAUIGZXZMINDOX-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.18
Rot. Bonds1

About 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione

4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione (PubChem CID 102105166) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione.

Molecular Properties

Compound Name4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione
PubChem CID102105166
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione
SMILESCOC12C=CC(=O)CC1C(=O)c1cccc(C)c12
InChIInChI=1S/C15H14O3/c1-9-4-3-5-11-13(9)15(18-2)7-6-10(16)8-12(15)14(11)17/h3-7,12H,8H2,1-2H3
InChIKeyGAUIGZXZMINDOX-UHFFFAOYSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
CID 102105163
6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
CID 102105161
3,3,4-trimethyl-2H-inden-1-one
CID 22924740
methyl 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 121009125
4,8-dimethyl-1H-naphthalen-2-one
CID 158508718
(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
CID 101198630
(4R)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
CID 131854134
N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677636
(1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one
CID 10612124
4-methyl-3H-indene-1,2-dione
CID 561993
5-(2,6-dimethylphenyl)cyclohexane-1,3-dione
CID 52939086
8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione
CID 15955456

Frequently Asked Questions

What is the IUPAC name of 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione?
The IUPAC name of 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione (CID 102105166) is 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione.
What is the SMILES notation for 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione?
The canonical SMILES for 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione is COC12C=CC(=O)CC1C(=O)c1cccc(C)c12.
What is the InChIKey of 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione?
The InChIKey is GAUIGZXZMINDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-4-3-5-11-13(9)15(18-2)7-6-10(16)8-12(15)14(11)17/h3-7,12H,8H2,1-2H3.
What are the key properties of 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione?
4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione has a molecular weight of 242.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione is sourced from PubChem (CID 102105166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).