(2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene

C22H20OS — CID 134956638

IUPAC(2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESCc1cccc2c1O[C@@H](c1ccccc1)[C@H](Sc1ccccc1)C2
InChIInChI=1S/C22H20OS/c1-16-9-8-12-18-15-20(24-19-13-6-3-7-14-19)22(23-21(16)18)17-10-4-2-5-11-17/h2-14,20,22H,15H2,1H3/t20-,22+/m1/s1
InChIKeyNIDHPVOPPIYTFT-IRLDBZIGSA-N
MW332.47 g/mol
LogP5.83
Rot. Bonds3

About (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene

(2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene (PubChem CID 134956638) has the molecular formula C22H20OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene
PubChem CID134956638
Molecular FormulaC22H20OS
Molecular Weight332.47 g/mol
Exact Mass332.12
IUPAC Name(2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESCc1cccc2c1O[C@@H](c1ccccc1)[C@H](Sc1ccccc1)C2
InChIInChI=1S/C22H20OS/c1-16-9-8-12-18-15-20(24-19-13-6-3-7-14-19)22(23-21(16)18)17-10-4-2-5-11-17/h2-14,20,22H,15H2,1H3/t20-,22+/m1/s1
InChIKeyNIDHPVOPPIYTFT-IRLDBZIGSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzylphenoxy)-3-(3,5-dimethylphenyl)sulfanylpropan-2-ol
CID 70684291
6-(1,3-dithiepan-2-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran
CID 132277556
9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene
CID 162643635
2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-1,3-dithian-5-ol
CID 171345061
2-[2-hydroxyethylsulfanyl-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)methyl]sulfanylethanol
CID 171345211
6-(1,3-dithian-2-yl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 171352360
6-(1,3-dithiepan-2-yl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 171357995
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(m-tolyl)sulfane
CID 162623347
9-(benzenesulfonyl)-9H-xanthene
CID 5095268
8-Methyl-2,3-dihydro-1,4-benzoxathiine
CID 13513258
1-(2,2-Diphenylethenylsulfanyl)-4-methoxybenzene
CID 156786997
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(p-tolyl)sulfane
CID 162623312

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene (CID 134956638) is (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene is Cc1cccc2c1O[C@@H](c1ccccc1)[C@H](Sc1ccccc1)C2.
What is the InChIKey of (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is NIDHPVOPPIYTFT-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H20OS/c1-16-9-8-12-18-15-20(24-19-13-6-3-7-14-19)22(23-21(16)18)17-10-4-2-5-11-17/h2-14,20,22H,15H2,1H3/t20-,22+/m1/s1.
What are the key properties of (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
(2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 332.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-8-methyl-2-phenyl-3-phenylsulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 134956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).