8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one

C12H12ClFO2 — CID 167238637

IUPAC8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCOc1cc(Cl)c2c(c1)CCC(C)(F)C2=O
InChIInChI=1S/C12H12ClFO2/c1-12(14)4-3-7-5-8(16-2)6-9(13)10(7)11(12)15/h5-6H,3-4H2,1-2H3
InChIKeyJDZOKVVVGKNTOZ-UHFFFAOYSA-N
MW242.68 g/mol
LogP3.21
Rot. Bonds1

About 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one

8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 167238637) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one
PubChem CID167238637
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Name8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCOc1cc(Cl)c2c(c1)CCC(C)(F)C2=O
InChIInChI=1S/C12H12ClFO2/c1-12(14)4-3-7-5-8(16-2)6-9(13)10(7)11(12)15/h5-6H,3-4H2,1-2H3
InChIKeyJDZOKVVVGKNTOZ-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one 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

3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
CID 166124236
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
5-methoxy-2,2-dimethyl-7-(trifluoromethyl)-3H-inden-1-one
CID 71171973
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612
7,8-dichloro-2-cyclopentyl-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 21483888
6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
CID 143278523
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
2-[(3-chloro-4-fluorophenyl)methyl]-8-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 175867188

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one (CID 167238637) is 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one is COc1cc(Cl)c2c(c1)CCC(C)(F)C2=O.
What is the InChIKey of 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is JDZOKVVVGKNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c1-12(14)4-3-7-5-8(16-2)6-9(13)10(7)11(12)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one?
8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 242.68 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-fluoro-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 167238637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).