1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane

C10H15ClO3S — CID 123849990

IUPAC1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane
SMILESCC(OS(C)(C)(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClO3S/c1-8(14-15(2,3,12)13)9-4-6-10(11)7-5-9/h4-8H,1-3H3,(H,12,13)
InChIKeyKYQOUZQKWRSPET-UHFFFAOYSA-N
MW250.75 g/mol
LogP2.89
Rot. Bonds3

About 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane

1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane (PubChem CID 123849990) has the molecular formula C10H15ClO3S and a molecular weight of 250.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane
PubChem CID123849990
Molecular FormulaC10H15ClO3S
Molecular Weight250.75 g/mol
Exact Mass250.04
IUPAC Name1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane
SMILESCC(OS(C)(C)(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClO3S/c1-8(14-15(2,3,12)13)9-4-6-10(11)7-5-9/h4-8H,1-3H3,(H,12,13)
InChIKeyKYQOUZQKWRSPET-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane
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[(1S)-1-(4-chlorophenyl)ethyl] N,N-di(propan-2-yl)carbamate
CID 46909844
[(1R)-1-(4-chlorophenyl)ethyl] butanoate
CID 100924469
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
1-(4-chlorophenyl)ethyl 3-aminobut-2-enoate
CID 71397056
1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone
CID 159128933
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
(4-chlorophenyl)-(4-propan-2-ylphenyl)methanethione
CID 54470257
(2S)-2-[(4-chlorophenyl)-hydroxy-methyl-oxo-λ6-sulfanyl]oxy-4-methylpentanenitrile
CID 163693213

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane?
The IUPAC name of 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane (CID 123849990) is 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane is CC(OS(C)(C)(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane?
The InChIKey is KYQOUZQKWRSPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO3S/c1-8(14-15(2,3,12)13)9-4-6-10(11)7-5-9/h4-8H,1-3H3,(H,12,13).
What are the key properties of 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane?
1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane has a molecular weight of 250.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethoxy-hydroxy-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 123849990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).