4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one

C17H10O3S — CID 54413505

IUPAC4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
SMILESO=c1oc2c(-c3ccccc3)sc(-c3ccccc3)c2o1
InChIInChI=1S/C17H10O3S/c18-17-19-13-14(20-17)16(12-9-5-2-6-10-12)21-15(13)11-7-3-1-4-8-11/h1-10H
InChIKeyVVTTVMSPOXIGCN-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.78
Rot. Bonds2

About 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one

4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one (PubChem CID 54413505) has the molecular formula C17H10O3S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one.

Molecular Properties

Compound Name4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
PubChem CID54413505
Molecular FormulaC17H10O3S
Molecular Weight294.33 g/mol
Exact Mass294.04
IUPAC Name4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
SMILESO=c1oc2c(-c3ccccc3)sc(-c3ccccc3)c2o1
InChIInChI=1S/C17H10O3S/c18-17-19-13-14(20-17)16(12-9-5-2-6-10-12)21-15(13)11-7-3-1-4-8-11/h1-10H
InChIKeyVVTTVMSPOXIGCN-UHFFFAOYSA-N
XLogP4.78
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1]Benzothiolo[2,3-d][1,3]dioxole
CID 134985758
2,5-Diphenyl-3-(methoxymethoxy)-thiophene
CID 15078740
Cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56607814
Ethyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56608031
(4-Hydroxy-2,5-diphenylthiophen-3-yl) methyl carbonate
CID 56622870
(4-Hydroxy-2,5-diphenylthiophen-3-yl) 3-methylbutyl carbonate
CID 56626865
(2,2-Diethyl-1,3-dioxolan-4-yl)methyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56631551
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56632344
(4-Hydroxy-2,5-diphenylthiophen-3-yl) propan-2-yl carbonate
CID 56634177
(4-Hydroxy-2,5-diphenylthiophen-3-yl) prop-2-enyl carbonate
CID 56635837
Decyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 56997585
Benzyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
CID 57014608

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one?
The IUPAC name of 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one (CID 54413505) is 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one.
What is the SMILES notation for 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one?
The canonical SMILES for 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one is O=c1oc2c(-c3ccccc3)sc(-c3ccccc3)c2o1.
What is the InChIKey of 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one?
The InChIKey is VVTTVMSPOXIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O3S/c18-17-19-13-14(20-17)16(12-9-5-2-6-10-12)21-15(13)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one?
4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one has a molecular weight of 294.33 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one is sourced from PubChem (CID 54413505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).