9-ethyl-10,10-dioxophenoxathiin-3-ol

C14H12O4S — CID 10492702

IUPAC9-ethyl-10,10-dioxophenoxathiin-3-ol
SMILESCCc1cccc2c1S(=O)(=O)c1ccc(O)cc1O2
InChIInChI=1S/C14H12O4S/c1-2-9-4-3-5-11-14(9)19(16,17)13-7-6-10(15)8-12(13)18-11/h3-8,15H,2H2,1H3
InChIKeyLZALRADDNATWFE-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.89
Rot. Bonds1

About 9-ethyl-10,10-dioxophenoxathiin-3-ol

9-ethyl-10,10-dioxophenoxathiin-3-ol (PubChem CID 10492702) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 9-ethyl-10,10-dioxophenoxathiin-3-ol.

Molecular Properties

Compound Name9-ethyl-10,10-dioxophenoxathiin-3-ol
PubChem CID10492702
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name9-ethyl-10,10-dioxophenoxathiin-3-ol
SMILESCCc1cccc2c1S(=O)(=O)c1ccc(O)cc1O2
InChIInChI=1S/C14H12O4S/c1-2-9-4-3-5-11-14(9)19(16,17)13-7-6-10(15)8-12(13)18-11/h3-8,15H,2H2,1H3
InChIKeyLZALRADDNATWFE-UHFFFAOYSA-N
XLogP2.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethylphenoxathiin 10,10-dioxide
CID 126111
1-Phenoxathiinethanol, 10,10-dioxide
CID 9860394
1-(1-Hydroxyethyl)phenoxathiin 10,10-dioxide
CID 9993586
1-Ethenylphenoxathiine 10,10-dioxide
CID 10038124
1-Methyl-phenoxathiine 10,10-dioxide
CID 10490634
1,9-Dimethyl-phenoxathiine 10,10-dioxide
CID 10563288
3-Ethyl-phenoxathiine 10,10-dioxide
CID 10587420
(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-1-yl)-methanol
CID 10753933
1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-
CID 178277
2-(4-Methoxyphenyl)-2,3-dihydro-1,4-benzoxathiine-5,7-diol
CID 10517608
1-(1-Methoxy-ethyl)-phenoxathiine 10,10-dioxide
CID 10637239
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-7-ol
CID 11299942

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-10,10-dioxophenoxathiin-3-ol?
The IUPAC name of 9-ethyl-10,10-dioxophenoxathiin-3-ol (CID 10492702) is 9-ethyl-10,10-dioxophenoxathiin-3-ol.
What is the SMILES notation for 9-ethyl-10,10-dioxophenoxathiin-3-ol?
The canonical SMILES for 9-ethyl-10,10-dioxophenoxathiin-3-ol is CCc1cccc2c1S(=O)(=O)c1ccc(O)cc1O2.
What is the InChIKey of 9-ethyl-10,10-dioxophenoxathiin-3-ol?
The InChIKey is LZALRADDNATWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c1-2-9-4-3-5-11-14(9)19(16,17)13-7-6-10(15)8-12(13)18-11/h3-8,15H,2H2,1H3.
What are the key properties of 9-ethyl-10,10-dioxophenoxathiin-3-ol?
9-ethyl-10,10-dioxophenoxathiin-3-ol has a molecular weight of 276.31 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-10,10-dioxophenoxathiin-3-ol is sourced from PubChem (CID 10492702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).