2-(1,1-dioxothietan-3-yl)oxyphenol

C9H10O4S — CID 84680339

IUPAC2-(1,1-dioxothietan-3-yl)oxyphenol
SMILESO=S1(=O)CC(Oc2ccccc2O)C1
InChIInChI=1S/C9H10O4S/c10-8-3-1-2-4-9(8)13-7-5-14(11,12)6-7/h1-4,7,10H,5-6H2
InChIKeyANBOWTWCPXYYRS-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.57
Rot. Bonds2

About 2-(1,1-dioxothietan-3-yl)oxyphenol

2-(1,1-dioxothietan-3-yl)oxyphenol (PubChem CID 84680339) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(1,1-dioxothietan-3-yl)oxyphenol.

Molecular Properties

Compound Name2-(1,1-dioxothietan-3-yl)oxyphenol
PubChem CID84680339
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(1,1-dioxothietan-3-yl)oxyphenol
SMILESO=S1(=O)CC(Oc2ccccc2O)C1
InChIInChI=1S/C9H10O4S/c10-8-3-1-2-4-9(8)13-7-5-14(11,12)6-7/h1-4,7,10H,5-6H2
InChIKeyANBOWTWCPXYYRS-UHFFFAOYSA-N
XLogP0.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isopropoxyphenol
CID 20949
3-(2-Hydroxyphenoxy)propane-1,2-diol
CID 89231
Phenol, 2-(2-propenyloxy)-
CID 70772
2-[[6-(Hydroxymethyl)dithiin-3-yl]methoxy]phenol
CID 462624
(2,3-Dihydro-1,4-benzodioxin-2-yl)methanesulfonyl chloride
CID 55279117
3-Phenoxythietane 1,1-dioxide
CID 840123
(R)-3-(2-hydroxyphenoxy)-1,2-propanediol
CID 11679932
(2-Hydroxyphenoxy)methanesulfonic acid
CID 16064952
Phenol, 2-methoxy-, methanesulfonate
CID 71332079
3-[2-(2,2,2-Trifluoroethoxy)phenoxy]propane-1-sulfonic acid
CID 89157432
2-But-3-enoxyphenol
CID 12290684
2-(2-Methoxyphenoxy)ethyl methanesulfonate
CID 15289993

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothietan-3-yl)oxyphenol?
The IUPAC name of 2-(1,1-dioxothietan-3-yl)oxyphenol (CID 84680339) is 2-(1,1-dioxothietan-3-yl)oxyphenol.
What is the SMILES notation for 2-(1,1-dioxothietan-3-yl)oxyphenol?
The canonical SMILES for 2-(1,1-dioxothietan-3-yl)oxyphenol is O=S1(=O)CC(Oc2ccccc2O)C1.
What is the InChIKey of 2-(1,1-dioxothietan-3-yl)oxyphenol?
The InChIKey is ANBOWTWCPXYYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c10-8-3-1-2-4-9(8)13-7-5-14(11,12)6-7/h1-4,7,10H,5-6H2.
What are the key properties of 2-(1,1-dioxothietan-3-yl)oxyphenol?
2-(1,1-dioxothietan-3-yl)oxyphenol has a molecular weight of 214.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothietan-3-yl)oxyphenol is sourced from PubChem (CID 84680339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).