(6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine

C19H14O2S — CID 102022120

IUPAC(6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine
SMILESCOc1ccc2c(c1)S[C@H]1c3cccc4cccc(c34)[C@H]1O2
InChIInChI=1S/C19H14O2S/c1-20-12-8-9-15-16(10-12)22-19-14-7-3-5-11-4-2-6-13(17(11)14)18(19)21-15/h2-10,18-19H,1H3/t18-,19+/m1/s1
InChIKeySDYNFFLEILPSNV-MOPGFXCFSA-N
MW306.39 g/mol
LogP5.13
Rot. Bonds1

About (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine

(6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine (PubChem CID 102022120) has the molecular formula C19H14O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine.

Molecular Properties

Compound Name(6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine
PubChem CID102022120
Molecular FormulaC19H14O2S
Molecular Weight306.39 g/mol
Exact Mass306.07
IUPAC Name(6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine
SMILESCOc1ccc2c(c1)S[C@H]1c3cccc4cccc(c34)[C@H]1O2
InChIInChI=1S/C19H14O2S/c1-20-12-8-9-15-16(10-12)22-19-14-7-3-5-11-4-2-6-13(17(11)14)18(19)21-15/h2-10,18-19H,1H3/t18-,19+/m1/s1
InChIKeySDYNFFLEILPSNV-MOPGFXCFSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine with MolForge

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Related Compounds

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(11R,12S)-12-hydroxy-11-(4-methoxyphenyl)-10-thia-14-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaen-13-one
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CID 10614452
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
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4-[(6R)-2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidin-1-ium
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Frequently Asked Questions

What is the IUPAC name of (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine?
The IUPAC name of (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine (CID 102022120) is (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine.
What is the SMILES notation for (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine?
The canonical SMILES for (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine is COc1ccc2c(c1)S[C@H]1c3cccc4cccc(c34)[C@H]1O2.
What is the InChIKey of (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine?
The InChIKey is SDYNFFLEILPSNV-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H14O2S/c1-20-12-8-9-15-16(10-12)22-19-14-7-3-5-11-4-2-6-13(17(11)14)18(19)21-15/h2-10,18-19H,1H3/t18-,19+/m1/s1.
What are the key properties of (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine?
(6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine has a molecular weight of 306.39 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6bR,12aS)-10-methoxy-6b,12a-dihydroacenaphthyleno[1,2-b][1,4]benzoxathiine is sourced from PubChem (CID 102022120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).