2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone

C15H22O2S — CID 104659280

IUPAC2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSC(C)CC
InChIInChI=1S/C15H22O2S/c1-4-10-17-15-9-7-6-8-13(15)14(16)11-18-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyGORQKDYWIVCMIV-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.19
Rot. Bonds8

About 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone

2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone (PubChem CID 104659280) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
PubChem CID104659280
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSC(C)CC
InChIInChI=1S/C15H22O2S/c1-4-10-17-15-9-7-6-8-13(15)14(16)11-18-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyGORQKDYWIVCMIV-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659325
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659319
N-butan-2-yl-2-propoxybenzamide
CID 71581291
3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
CID 103458373
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
1-(2-ethoxyphenyl)-2-(2-methylbutylsulfanyl)ethanone
CID 107752662
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
3-(aminomethyl)-5-methyl-1-(2-propoxyphenyl)hexan-1-one
CID 116576808
phenyl-(2-propoxyphenyl)methanone
CID 15556308

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone (CID 104659280) is 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone is CCCOc1ccccc1C(=O)CSC(C)CC.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone?
The InChIKey is GORQKDYWIVCMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-4-10-17-15-9-7-6-8-13(15)14(16)11-18-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone?
2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone is sourced from PubChem (CID 104659280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).