7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole

C16H12O4S — CID 139071244

IUPAC7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole
SMILESC[S@@](=O)c1c(-c2ccccc2)oc2cc3c(cc12)OCO3
InChIInChI=1S/C16H12O4S/c1-21(17)16-11-7-13-14(19-9-18-13)8-12(11)20-15(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3/t21-/m1/s1
InChIKeyMWKJQTXKQQBEEE-OAQYLSRUSA-N
MW300.33 g/mol
LogP3.57
Rot. Bonds2

About 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole

7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole (PubChem CID 139071244) has the molecular formula C16H12O4S and a molecular weight of 300.33 g/mol. Its IUPAC name is 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole.

Molecular Properties

Compound Name7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole
PubChem CID139071244
Molecular FormulaC16H12O4S
Molecular Weight300.33 g/mol
Exact Mass300.05
IUPAC Name7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole
SMILESC[S@@](=O)c1c(-c2ccccc2)oc2cc3c(cc12)OCO3
InChIInChI=1S/C16H12O4S/c1-21(17)16-11-7-13-14(19-9-18-13)8-12(11)20-15(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3/t21-/m1/s1
InChIKeyMWKJQTXKQQBEEE-OAQYLSRUSA-N
XLogP3.57
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-diphenylfuro[2,3-f][1,3]benzodioxole
CID 102296676
5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139087024
2-(4-bromophenyl)-5-methyl-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139072598
2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139078206
1,3-benzodioxole;1,1'-biphenyl
CID 161120601
3-amino-2-(1,3-benzodioxol-5-yl)chromen-4-one
CID 86100284
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
6-(4-aminophenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
CID 82046503
benzene;1,3-benzodioxole
CID 158998325
2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one
CID 14385989
(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide
CID 155486693

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole?
The IUPAC name of 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole (CID 139071244) is 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole.
What is the SMILES notation for 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole?
The canonical SMILES for 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole is C[S@@](=O)c1c(-c2ccccc2)oc2cc3c(cc12)OCO3.
What is the InChIKey of 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole?
The InChIKey is MWKJQTXKQQBEEE-OAQYLSRUSA-N. The full InChI is InChI=1S/C16H12O4S/c1-21(17)16-11-7-13-14(19-9-18-13)8-12(11)20-15(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3/t21-/m1/s1.
What are the key properties of 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole?
7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole has a molecular weight of 300.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole is sourced from PubChem (CID 139071244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).