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

C18H18O2S — CID 134930831

IUPAC(3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran
SMILESCc1ccc([S@](=O)[C@H]2COCC=C2c2ccccc2)cc1
InChIInChI=1S/C18H18O2S/c1-14-7-9-16(10-8-14)21(19)18-13-20-12-11-17(18)15-5-3-2-4-6-15/h2-11,18H,12-13H2,1H3/t18-,21-/m0/s1
InChIKeyJVSQBHJPYNQNTM-RXVVDRJESA-N
MW298.41 g/mol
LogP3.59
Rot. Bonds3

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

(3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran (PubChem CID 134930831) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran
PubChem CID134930831
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name(3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran
SMILESCc1ccc([S@](=O)[C@H]2COCC=C2c2ccccc2)cc1
InChIInChI=1S/C18H18O2S/c1-14-7-9-16(10-8-14)21(19)18-13-20-12-11-17(18)15-5-3-2-4-6-15/h2-11,18H,12-13H2,1H3/t18-,21-/m0/s1
InChIKeyJVSQBHJPYNQNTM-RXVVDRJESA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
1-Methoxymethyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10405126
US8815951, Epoxide Hydrolase Inhibitor 4
CID 86766822
4-(4-Methanesulfonyl-phenyl)-3-phenyl-5H-[1,2]oxathiole 2-oxide
CID 11450459
(4-Methylsulfanylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 24325396
5-(Benzenesulfonyl)-2,3-diphenyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 44421527
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
CID 101696273
(3R)-5-(benzenesulfonyl)-4-(4-fluorophenyl)-3-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,6-dihydro-2H-pyran
CID 168345850
benzyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10469386
1-[(E)-3-methoxy-2-phenylselanylprop-1-enyl]sulfonyl-4-methylbenzene
CID 11047164
Benzyl (s)-2-(p-tolylsulfinyl)acrylate
CID 11098612

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
The IUPAC name of (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran (CID 134930831) is (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran is Cc1ccc([S@](=O)[C@H]2COCC=C2c2ccccc2)cc1.
What is the InChIKey of (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
The InChIKey is JVSQBHJPYNQNTM-RXVVDRJESA-N. The full InChI is InChI=1S/C18H18O2S/c1-14-7-9-16(10-8-14)21(19)18-13-20-12-11-17(18)15-5-3-2-4-6-15/h2-11,18H,12-13H2,1H3/t18-,21-/m0/s1.
What are the key properties of (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran?
(3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran has a molecular weight of 298.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(R)-(4-methylphenyl)sulfinyl]-4-phenyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134930831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).