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

C21H18OS — CID 164681206

IUPAC(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESc1ccc(S[C@H]2C[C@@H](c3ccccc3)c3ccccc3O2)cc1
InChIInChI=1S/C21H18OS/c1-3-9-16(10-4-1)19-15-21(23-17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-14,19,21H,15H2/t19-,21-/m0/s1
InChIKeyHDNSVQXQKSNHNK-FPOVZHCZSA-N
MW318.44 g/mol
LogP5.72
Rot. Bonds3

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

(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene (PubChem CID 164681206) has the molecular formula C21H18OS and a molecular weight of 318.44 g/mol. Its IUPAC name is (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene
PubChem CID164681206
Molecular FormulaC21H18OS
Molecular Weight318.44 g/mol
Exact Mass318.11
IUPAC Name(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene
SMILESc1ccc(S[C@H]2C[C@@H](c3ccccc3)c3ccccc3O2)cc1
InChIInChI=1S/C21H18OS/c1-3-9-16(10-4-1)19-15-21(23-17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-14,19,21H,15H2/t19-,21-/m0/s1
InChIKeyHDNSVQXQKSNHNK-FPOVZHCZSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
CID 20560227
(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
CID 62707492
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine
CID 134938194
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71443708
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132523730
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
CID 21760
5-phenyl-4,5-dihydro-3H-1-benzoxepin-2-one
CID 14664442
(6S,6aR,7aR,11aR,12aR)-6-phenylsulfanyl-6,6a,7,7a,8,9,10,11,11a,12a-decahydrochromeno[3,2-c]chromene
CID 101085084

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene (CID 164681206) is (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene is c1ccc(S[C@H]2C[C@@H](c3ccccc3)c3ccccc3O2)cc1.
What is the InChIKey of (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is HDNSVQXQKSNHNK-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H18OS/c1-3-9-16(10-4-1)19-15-21(23-17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-14,19,21H,15H2/t19-,21-/m0/s1.
What are the key properties of (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene?
(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 318.44 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 164681206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).