(6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one

C19H18O3S — CID 10064957

IUPAC(6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one
SMILESCOc1ccc2c(c1)O[C@H]1[C@H](C2=O)c2ccccc2SC1(C)C
InChIInChI=1S/C19H18O3S/c1-19(2)18-16(13-6-4-5-7-15(13)23-19)17(20)12-9-8-11(21-3)10-14(12)22-18/h4-10,16,18H,1-3H3/t16-,18-/m0/s1
InChIKeyWIHMUPHHSCJAEM-WMZOPIPTSA-N
MW326.42 g/mol
LogP4.31
Rot. Bonds1

About (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one

(6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one (PubChem CID 10064957) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one.

Molecular Properties

Compound Name(6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one
PubChem CID10064957
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name(6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one
SMILESCOc1ccc2c(c1)O[C@H]1[C@H](C2=O)c2ccccc2SC1(C)C
InChIInChI=1S/C19H18O3S/c1-19(2)18-16(13-6-4-5-7-15(13)23-19)17(20)12-9-8-11(21-3)10-14(12)22-18/h4-10,16,18H,1-3H3/t16-,18-/m0/s1
InChIKeyWIHMUPHHSCJAEM-WMZOPIPTSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-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

(6aS,11aS)-3-methoxy-6a,11a-dihydro-[1]benzothiolo[3,2-c]chromen-6-one
CID 10636790
3,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
CID 70492081
(6aR,11aR)-3,8,9-trimethoxy-6,6-dimethyl-6a,11a-dihydroindeno[1,2-c]chromen-11-one
CID 42611874
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-3-one
CID 129383938
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14539349
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
5-methoxy-3-methyl-3-phenyl-2-benzothiophen-1-one
CID 102475825
(2R,3R)-3-hydroxy-7-methoxy-2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 16758558
(1R,12R)-9-benzyl-16-methoxy-20,20-dimethyl-19-thia-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-2(10),3,5,7,13(18),14,16-heptaen-11-one
CID 42611973

Frequently Asked Questions

What is the IUPAC name of (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one?
The IUPAC name of (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one (CID 10064957) is (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one.
What is the SMILES notation for (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one?
The canonical SMILES for (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one is COc1ccc2c(c1)O[C@H]1[C@H](C2=O)c2ccccc2SC1(C)C.
What is the InChIKey of (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one?
The InChIKey is WIHMUPHHSCJAEM-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H18O3S/c1-19(2)18-16(13-6-4-5-7-15(13)23-19)17(20)12-9-8-11(21-3)10-14(12)22-18/h4-10,16,18H,1-3H3/t16-,18-/m0/s1.
What are the key properties of (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one?
(6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one has a molecular weight of 326.42 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,12aR)-9-methoxy-6,6-dimethyl-6a,12a-dihydrothiochromeno[3,4-b]chromen-12-one is sourced from PubChem (CID 10064957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).