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

C14H11ClO3 — CID 102105163

IUPAC5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
SMILESCOC12C=CC(=O)CC1C(=O)c1cccc(Cl)c12
InChIInChI=1S/C14H11ClO3/c1-18-14-6-5-8(16)7-10(14)13(17)9-3-2-4-11(15)12(9)14/h2-6,10H,7H2,1H3
InChIKeyAXNXELVOLDFVTH-UHFFFAOYSA-N
MW262.69 g/mol
LogP2.52
Rot. Bonds1

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

5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione (PubChem CID 102105163) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione.

Molecular Properties

Compound Name5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
PubChem CID102105163
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
SMILESCOC12C=CC(=O)CC1C(=O)c1cccc(Cl)c12
InChIInChI=1S/C14H11ClO3/c1-18-14-6-5-8(16)7-10(14)13(17)9-3-2-4-11(15)12(9)14/h2-6,10H,7H2,1H3
InChIKeyAXNXELVOLDFVTH-UHFFFAOYSA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione
CID 102105166
6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
CID 102105161
2-amino-5-chloro-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 84624497
2-tert-butyl-4-chloro-2,3-dihydroinden-1-one
CID 22172900
(1S,9R,10R)-10-(2,6-dichlorophenyl)-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13190793
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
7-chloro-1H-indole-2,3-dione
CID 139078100
(1S)-7-chloro-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 94681694
8-chloro-3-methyl-1H-isothiochromen-4-one
CID 82887834
(5S)-3-chloro-4,4-dimethoxy-5-methylcyclohex-2-en-1-one
CID 132820611
8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 43536475
3-(3-chloro-2-methylphenyl)-2,3-dihydroinden-1-one
CID 70835059

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
The IUPAC name of 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione (CID 102105163) is 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione.
What is the SMILES notation for 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
The canonical SMILES for 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione is COC12C=CC(=O)CC1C(=O)c1cccc(Cl)c12.
What is the InChIKey of 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
The InChIKey is AXNXELVOLDFVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-18-14-6-5-8(16)7-10(14)13(17)9-3-2-4-11(15)12(9)14/h2-6,10H,7H2,1H3.
What are the key properties of 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione has a molecular weight of 262.69 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione is sourced from PubChem (CID 102105163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).