(4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one

C15H16Cl2O2 — CID 125463470

IUPAC(4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)[C@]1(C)CCCC[C@@H]21
InChIInChI=1S/C15H16Cl2O2/c1-15-6-4-3-5-9(15)8-7-10(19-2)12(16)13(17)11(8)14(15)18/h7,9H,3-6H2,1-2H3/t9-,15+/m0/s1
InChIKeyNRAZIOVIDIPGJV-BJOHPYRUSA-N
MW299.20 g/mol
LogP4.86
Rot. Bonds1

About (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one

(4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one (PubChem CID 125463470) has the molecular formula C15H16Cl2O2 and a molecular weight of 299.20 g/mol. Its IUPAC name is (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one.

Molecular Properties

Compound Name(4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
PubChem CID125463470
Molecular FormulaC15H16Cl2O2
Molecular Weight299.20 g/mol
Exact Mass298.05
IUPAC Name(4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)[C@]1(C)CCCC[C@@H]21
InChIInChI=1S/C15H16Cl2O2/c1-15-6-4-3-5-9(15)8-7-10(19-2)12(16)13(17)11(8)14(15)18/h7,9H,3-6H2,1-2H3/t9-,15+/m0/s1
InChIKeyNRAZIOVIDIPGJV-BJOHPYRUSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-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

3,4-dichloro-6-cyclopentyl-2-methoxy-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 21483926
7,8-dichloro-2-cyclopentyl-6-methoxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 21483888
8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
CID 15157188
(2S)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one
CID 100931462
(2R)-6,7-dichloro-5-methoxy-2-methyl-2-phenyl-3H-inden-1-one
CID 129384226
4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]butanenitrile
CID 14302201
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxymethyl]pyrrolidine-2,3,5-trione
CID 54325978
methyl 2-chloro-2-(1-methyl-7-bicyclo[4.1.0]heptanylidene)acetate
CID 71326729
(3'R,5'S)-7-chloro-4,6-dimethoxy-3',5'-dimethylspiro[1-benzofuran-2,4'-cyclohexane]-1',3-dione
CID 14565584
(3aR,9bR)-6-chloro-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 160711595

Frequently Asked Questions

What is the IUPAC name of (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
The IUPAC name of (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one (CID 125463470) is (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one.
What is the SMILES notation for (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
The canonical SMILES for (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one is COc1cc2c(c(Cl)c1Cl)C(=O)[C@]1(C)CCCC[C@@H]21.
What is the InChIKey of (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
The InChIKey is NRAZIOVIDIPGJV-BJOHPYRUSA-N. The full InChI is InChI=1S/C15H16Cl2O2/c1-15-6-4-3-5-9(15)8-7-10(19-2)12(16)13(17)11(8)14(15)18/h7,9H,3-6H2,1-2H3/t9-,15+/m0/s1.
What are the key properties of (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
(4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one has a molecular weight of 299.20 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aR)-7,8-dichloro-6-methoxy-9a-methyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one is sourced from PubChem (CID 125463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).