(2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene

C23H22OS — CID 134956062

IUPAC(2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESc1ccc(CC[C@@H]2Oc3ccccc3C[C@H]2Sc2ccccc2)cc1
InChIInChI=1S/C23H22OS/c1-3-9-18(10-4-1)15-16-22-23(25-20-12-5-2-6-13-20)17-19-11-7-8-14-21(19)24-22/h1-14,22-23H,15-17H2/t22-,23+/m0/s1
InChIKeyYGUWCPQEWQQRJL-XZOQPEGZSA-N
MW346.50 g/mol
LogP5.78
Rot. Bonds5

About (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene

(2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene (PubChem CID 134956062) has the molecular formula C23H22OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene
PubChem CID134956062
Molecular FormulaC23H22OS
Molecular Weight346.50 g/mol
Exact Mass346.14
IUPAC Name(2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESc1ccc(CC[C@@H]2Oc3ccccc3C[C@H]2Sc2ccccc2)cc1
InChIInChI=1S/C23H22OS/c1-3-9-18(10-4-1)15-16-22-23(25-20-12-5-2-6-13-20)17-19-11-7-8-14-21(19)24-22/h1-14,22-23H,15-17H2/t22-,23+/m0/s1
InChIKeyYGUWCPQEWQQRJL-XZOQPEGZSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]thiophene
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1-(2-Benzylsulfanylethoxy)-4-phenoxybenzene
CID 11002213
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CID 208881
p-(2-Methyl-1-(phenylthio)propyl)anisole
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CID 3045433
DIBENZO(b,f)THIEPIN, 3-(ALLYLOXY)-10-ETHYL-11-PHENYL-
CID 55409
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CID 11975718

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene (CID 134956062) is (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene is c1ccc(CC[C@@H]2Oc3ccccc3C[C@H]2Sc2ccccc2)cc1.
What is the InChIKey of (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is YGUWCPQEWQQRJL-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H22OS/c1-3-9-18(10-4-1)15-16-22-23(25-20-12-5-2-6-13-20)17-19-11-7-8-14-21(19)24-22/h1-14,22-23H,15-17H2/t22-,23+/m0/s1.
What are the key properties of (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene?
(2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 346.50 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-phenylethyl)-3-phenylsulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 134956062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).