2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran

C18H18OS — CID 10612913

IUPAC2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran
SMILESCOC1C=CCC(c2ccccc2)(c2ccccc2)S1
InChIInChI=1S/C18H18OS/c1-19-17-13-8-14-18(20-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-13,17H,14H2,1H3
InChIKeyGUGCZFZFYGPANT-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.60
Rot. Bonds3

About 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran

2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran (PubChem CID 10612913) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran
PubChem CID10612913
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran
SMILESCOC1C=CCC(c2ccccc2)(c2ccccc2)S1
InChIInChI=1S/C18H18OS/c1-19-17-13-8-14-18(20-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-13,17H,14H2,1H3
InChIKeyGUGCZFZFYGPANT-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-[(4S)-4-methoxypyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
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3-methoxy-1-[(1-phenylcyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindole
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CID 53463289

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran?
The IUPAC name of 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran (CID 10612913) is 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran.
What is the SMILES notation for 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran?
The canonical SMILES for 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran is COC1C=CCC(c2ccccc2)(c2ccccc2)S1.
What is the InChIKey of 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran?
The InChIKey is GUGCZFZFYGPANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-19-17-13-8-14-18(20-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-13,17H,14H2,1H3.
What are the key properties of 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran?
2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran has a molecular weight of 282.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,6-diphenyl-2,5-dihydrothiopyran is sourced from PubChem (CID 10612913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).