ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C14H16O2S — CID 143921758

IUPACethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC.c1ccc(-c2scc3c2OCCO3)cc1
InChIInChI=1S/C12H10O2S.C2H6/c1-2-4-9(5-3-1)12-11-10(8-15-12)13-6-7-14-11;1-2/h1-5,8H,6-7H2;1-2H3
InChIKeyKJNJQEGXPMIWNU-UHFFFAOYSA-N
MW248.35 g/mol
LogP4.21
Rot. Bonds1

About ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 143921758) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Nameethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID143921758
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Nameethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC.c1ccc(-c2scc3c2OCCO3)cc1
InChIInChI=1S/C12H10O2S.C2H6/c1-2-4-9(5-3-1)12-11-10(8-15-12)13-6-7-14-11;1-2/h1-5,8H,6-7H2;1-2H3
InChIKeyKJNJQEGXPMIWNU-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
CID 59696867
5,15-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin
CID 136734781
4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
CID 67470058
bromomethane;4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-1-methylpyridin-1-ium
CID 142292526
4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-phenyl-1H-benzimidazole
CID 90391275
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 84715807
6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)quinoxaline
CID 141358089
3,6-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
CID 24751400
11,23-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
CID 59165250
[2,4-bis[5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]thiophen-2-yl]-3-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
CID 101401030
5-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-7-(7-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214313

Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 143921758) is ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC.c1ccc(-c2scc3c2OCCO3)cc1.
What is the InChIKey of ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is KJNJQEGXPMIWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.C2H6/c1-2-4-9(5-3-1)12-11-10(8-15-12)13-6-7-14-11;1-2/h1-5,8H,6-7H2;1-2H3.
What are the key properties of ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 248.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 143921758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).