(2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide

C15H14O3S — CID 134869649

IUPAC(2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide
SMILESCOc1ccc2c(c1)O[C@](C)(c1ccccc1)[S@]2=O
InChIInChI=1S/C15H14O3S/c1-15(11-6-4-3-5-7-11)18-13-10-12(17-2)8-9-14(13)19(15)16/h3-10H,1-2H3/t15-,19-/m0/s1
InChIKeyBRLLTZIWAMMMSM-KXBFYZLASA-N
MW274.34 g/mol
LogP3.07
Rot. Bonds2

About (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide

(2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide (PubChem CID 134869649) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide.

Molecular Properties

Compound Name(2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide
PubChem CID134869649
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide
SMILESCOc1ccc2c(c1)O[C@](C)(c1ccccc1)[S@]2=O
InChIInChI=1S/C15H14O3S/c1-15(11-6-4-3-5-7-11)18-13-10-12(17-2)8-9-14(13)19(15)16/h3-10H,1-2H3/t15-,19-/m0/s1
InChIKeyBRLLTZIWAMMMSM-KXBFYZLASA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol
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(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
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(1aS,7aR)-1a-ethyl-4-methoxy-7a-phenyloxireno[2,3-b]chromen-7-one
CID 102572256
2,2-dibromo-6-methoxy-1-benzofuran-3-one
CID 5325532
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CID 640900
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
[(2R,3R)-2,6-dimethoxy-4-oxo-2-phenyl-3H-chromen-3-yl] acetate
CID 25016928
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
CID 172559489

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide?
The IUPAC name of (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide (CID 134869649) is (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide.
What is the SMILES notation for (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide?
The canonical SMILES for (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide is COc1ccc2c(c1)O[C@](C)(c1ccccc1)[S@]2=O.
What is the InChIKey of (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide?
The InChIKey is BRLLTZIWAMMMSM-KXBFYZLASA-N. The full InChI is InChI=1S/C15H14O3S/c1-15(11-6-4-3-5-7-11)18-13-10-12(17-2)8-9-14(13)19(15)16/h3-10H,1-2H3/t15-,19-/m0/s1.
What are the key properties of (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide?
(2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide has a molecular weight of 274.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide is sourced from PubChem (CID 134869649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).