2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone

C15H22O2S — CID 65133875

IUPAC2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CSC(C)(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-5-10-17-13-8-6-12(7-9-13)14(16)11-18-15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyHNBDGEMIADWUIO-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.19
Rot. Bonds6

About 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone

2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone (PubChem CID 65133875) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
PubChem CID65133875
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CSC(C)(C)C)cc1
InChIInChI=1S/C15H22O2S/c1-5-10-17-13-8-6-12(7-9-13)14(16)11-18-15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyHNBDGEMIADWUIO-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
CID 82101917
2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
CID 66139748
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
CID 82050332
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
CID 116747099
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 79053644

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone (CID 65133875) is 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CSC(C)(C)C)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone?
The InChIKey is HNBDGEMIADWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-5-10-17-13-8-6-12(7-9-13)14(16)11-18-15(2,3)4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone?
2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 65133875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).