4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran

C24H20OS — CID 70401522

IUPAC4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran
SMILESCOc1ccc(C2=CC(c3ccccc3)SC(c3ccccc3)=C2)cc1
InChIInChI=1S/C24H20OS/c1-25-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)26-24(17-21)20-10-6-3-7-11-20/h2-17,23H,1H3
InChIKeyXBUFOLORDWKPDB-UHFFFAOYSA-N
MW356.49 g/mol
LogP6.61
Rot. Bonds4

About 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran

4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran (PubChem CID 70401522) has the molecular formula C24H20OS and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran
PubChem CID70401522
Molecular FormulaC24H20OS
Molecular Weight356.49 g/mol
Exact Mass356.12
IUPAC Name4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran
SMILESCOc1ccc(C2=CC(c3ccccc3)SC(c3ccccc3)=C2)cc1
InChIInChI=1S/C24H20OS/c1-25-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)26-24(17-21)20-10-6-3-7-11-20/h2-17,23H,1H3
InChIKeyXBUFOLORDWKPDB-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methoxyphenyl)-2,4-diphenyl-2H-pyran
CID 57376774
4-(4-methoxyphenyl)-6-phenyl-3,6-dihydro-1,3-thiazine-2-thione
CID 2725886
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-[(4-methoxyphenyl)methyl]-2,4,6-triphenyl-2H-pyridine tetrafluoroborate
CID 175302704
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
6-(4-methoxyphenyl)-2,4-diphenyl-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-5,7-dione
CID 138115692

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran?
The IUPAC name of 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran (CID 70401522) is 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran?
The canonical SMILES for 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran is COc1ccc(C2=CC(c3ccccc3)SC(c3ccccc3)=C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran?
The InChIKey is XBUFOLORDWKPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20OS/c1-25-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)26-24(17-21)20-10-6-3-7-11-20/h2-17,23H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran?
4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran has a molecular weight of 356.49 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,6-diphenyl-2H-thiopyran is sourced from PubChem (CID 70401522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).