1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone

C11H16O3S — CID 144853014

IUPAC1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCS(C)(C)O)c1
InChIInChI=1S/C11H16O3S/c1-9(12)10-5-4-6-11(7-10)14-8-15(2,3)13/h4-7,13H,8H2,1-3H3
InChIKeyYZVOZRGMWJRUPH-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.76
Rot. Bonds4

About 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone

1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone (PubChem CID 144853014) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
PubChem CID144853014
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCS(C)(C)O)c1
InChIInChI=1S/C11H16O3S/c1-9(12)10-5-4-6-11(7-10)14-8-15(2,3)13/h4-7,13H,8H2,1-3H3
InChIKeyYZVOZRGMWJRUPH-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82927221
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
1-(3-hydroperoxyphenyl)ethanone
CID 21289599
1-(3-henicosoxyphenyl)ethanone
CID 23127401
3-(3-acetylphenoxy)-2,2-dimethylpropanoic acid
CID 79623207
(3-chlorophenyl) 2-(3-acetylphenoxy)acetate
CID 78777152
2-(3-acetylphenoxy)ethyl-diethylazanium
CID 7273681
1-[3-(3-bromo-2-methylpropoxy)phenyl]ethanone
CID 64996193

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone (CID 144853014) is 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone is CC(=O)c1cccc(OCS(C)(C)O)c1.
What is the InChIKey of 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone?
The InChIKey is YZVOZRGMWJRUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-9(12)10-5-4-6-11(7-10)14-8-15(2,3)13/h4-7,13H,8H2,1-3H3.
What are the key properties of 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone?
1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone has a molecular weight of 228.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 144853014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).