1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol

C13H18O4S — CID 113323142

IUPAC1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H18O4S/c1-10(14)8-11-2-4-12(5-3-11)17-13-6-7-18(15,16)9-13/h2-5,10,13-14H,6-9H2,1H3
InChIKeyCEERUPKKFUSJDN-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.18
Rot. Bonds4

About 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol

1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol (PubChem CID 113323142) has the molecular formula C13H18O4S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol
PubChem CID113323142
Molecular FormulaC13H18O4S
Molecular Weight270.35 g/mol
Exact Mass270.09
IUPAC Name1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H18O4S/c1-10(14)8-11-2-4-12(5-3-11)17-13-6-7-18(15,16)9-13/h2-5,10,13-14H,6-9H2,1H3
InChIKeyCEERUPKKFUSJDN-UHFFFAOYSA-N
XLogP1.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
4-[4-(2-hydroxypropyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 115495876
(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
CID 7102407
2-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914820
1-[4-(1,1-dioxothietan-3-yl)oxyphenyl]propan-2-amine
CID 117391642
1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine
CID 79800002
4-(1,1-dioxothiolan-3-yl)oxybenzonitrile
CID 61058416
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 54914608
1-[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]propan-2-amine
CID 107692941
3-[1-bromo-2-(4-methoxyphenyl)ethyl]thiolane 1,1-dioxide
CID 64904387
3-[4-(2-hydroxypropyl)phenoxy]oxolan-2-one
CID 115496011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol?
The IUPAC name of 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol (CID 113323142) is 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol?
The canonical SMILES for 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol is CC(O)Cc1ccc(OC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol?
The InChIKey is CEERUPKKFUSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4S/c1-10(14)8-11-2-4-12(5-3-11)17-13-6-7-18(15,16)9-13/h2-5,10,13-14H,6-9H2,1H3.
What are the key properties of 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol?
1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol has a molecular weight of 270.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol is sourced from PubChem (CID 113323142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).