methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate

C20H20O2S — CID 10087633

IUPACmethyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate
SMILESCOC(=O)C1C(C)SC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C20H20O2S/c1-14-19(20(21)22-2)17(15-9-5-3-6-10-15)13-18(23-14)16-11-7-4-8-12-16/h3-14,17,19H,1-2H3
InChIKeyUIDNLYSMHOIULK-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.74
Rot. Bonds3

About methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate

methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate (PubChem CID 10087633) has the molecular formula C20H20O2S and a molecular weight of 324.44 g/mol. Its IUPAC name is methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate
PubChem CID10087633
Molecular FormulaC20H20O2S
Molecular Weight324.44 g/mol
Exact Mass324.12
IUPAC Namemethyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate
SMILESCOC(=O)C1C(C)SC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C20H20O2S/c1-14-19(20(21)22-2)17(15-9-5-3-6-10-15)13-18(23-14)16-11-7-4-8-12-16/h3-14,17,19H,1-2H3
InChIKeyUIDNLYSMHOIULK-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate?
The IUPAC name of methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate (CID 10087633) is methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate is COC(=O)C1C(C)SC(c2ccccc2)=CC1c1ccccc1.
What is the InChIKey of methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate?
The InChIKey is UIDNLYSMHOIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c1-14-19(20(21)22-2)17(15-9-5-3-6-10-15)13-18(23-14)16-11-7-4-8-12-16/h3-14,17,19H,1-2H3.
What are the key properties of methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate?
methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate has a molecular weight of 324.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-carboxylate is sourced from PubChem (CID 10087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).