(2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran

C19H20O2S — CID 134927933

IUPAC(2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran
SMILESCc1ccc([S@](=O)[C@@H]2C(c3ccccc3)=CCO[C@H]2C)cc1
InChIInChI=1S/C19H20O2S/c1-14-8-10-17(11-9-14)22(20)19-15(2)21-13-12-18(19)16-6-4-3-5-7-16/h3-12,15,19H,13H2,1-2H3/t15-,19-,22-/m0/s1
InChIKeyVABGKBYOIKMAEW-OHEPNIRZSA-N
MW312.43 g/mol
LogP3.97
Rot. Bonds3

About (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran

(2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran (PubChem CID 134927933) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran
PubChem CID134927933
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name(2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran
SMILESCc1ccc([S@](=O)[C@@H]2C(c3ccccc3)=CCO[C@H]2C)cc1
InChIInChI=1S/C19H20O2S/c1-14-8-10-17(11-9-14)22(20)19-15(2)21-13-12-18(19)16-6-4-3-5-7-16/h3-12,15,19H,13H2,1-2H3/t15-,19-,22-/m0/s1
InChIKeyVABGKBYOIKMAEW-OHEPNIRZSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran (CID 134927933) is (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran is Cc1ccc([S@](=O)[C@@H]2C(c3ccccc3)=CCO[C@H]2C)cc1.
What is the InChIKey of (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
The InChIKey is VABGKBYOIKMAEW-OHEPNIRZSA-N. The full InChI is InChI=1S/C19H20O2S/c1-14-8-10-17(11-9-14)22(20)19-15(2)21-13-12-18(19)16-6-4-3-5-7-16/h3-12,15,19H,13H2,1-2H3/t15-,19-,22-/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
(2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran has a molecular weight of 312.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134927933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).