(4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene

C19H18OS — CID 14809625

IUPAC(4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene
SMILESC[C@]12COc3ccccc3[C@@H]1C=C(c1ccccc1)SC2
InChIInChI=1S/C19H18OS/c1-19-12-20-17-10-6-5-9-15(17)16(19)11-18(21-13-19)14-7-3-2-4-8-14/h2-11,16H,12-13H2,1H3/t16-,19+/m0/s1
InChIKeyUIXGURBJZGLAEF-QFBILLFUSA-N
MW294.42 g/mol
LogP4.96
Rot. Bonds1

About (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene

(4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene (PubChem CID 14809625) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene.

Molecular Properties

Compound Name(4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene
PubChem CID14809625
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name(4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene
SMILESC[C@]12COc3ccccc3[C@@H]1C=C(c1ccccc1)SC2
InChIInChI=1S/C19H18OS/c1-19-12-20-17-10-6-5-9-15(17)16(19)11-18(21-13-19)14-7-3-2-4-8-14/h2-11,16H,12-13H2,1H3/t16-,19+/m0/s1
InChIKeyUIXGURBJZGLAEF-QFBILLFUSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-3,4-dihydro-2H-chromene
CID 15331838
Isoflavan
CID 500472
Xanthene-9-Thione
CID 300362
4,4-Dimethylchroman
CID 316763
9,9-Dimethylxanthene
CID 606997
1-Tert-butyl-4-[3-(isopropylthio)propoxy]benzene
CID 2304711
(3Z)-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
CID 57392390
3-(4-phenylbutyl)-2H-chromene
CID 137642306
3-(5-phenylpentyl)-2H-chromene
CID 137643038
3-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 137648661
3-(4-phenylbutyl)-3,4-dihydro-2H-chromene
CID 137660027
(3Z)-3-benzylidene-4H-chromene
CID 45267236

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene?
The IUPAC name of (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene (CID 14809625) is (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene.
What is the SMILES notation for (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene?
The canonical SMILES for (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene is C[C@]12COc3ccccc3[C@@H]1C=C(c1ccccc1)SC2.
What is the InChIKey of (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene?
The InChIKey is UIXGURBJZGLAEF-QFBILLFUSA-N. The full InChI is InChI=1S/C19H18OS/c1-19-12-20-17-10-6-5-9-15(17)16(19)11-18(21-13-19)14-7-3-2-4-8-14/h2-11,16H,12-13H2,1H3/t16-,19+/m0/s1.
What are the key properties of (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene?
(4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene has a molecular weight of 294.42 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4a-methyl-2-phenyl-5,10b-dihydro-4H-thiopyrano[3,4-c]chromene is sourced from PubChem (CID 14809625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).