1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone

C15H22O2S — CID 82053584

IUPAC1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone
SMILESCCCOc1cc(C)c(C(=O)CSCC)cc1C
InChIInChI=1S/C15H22O2S/c1-5-7-17-15-9-11(3)13(8-12(15)4)14(16)10-18-6-2/h8-9H,5-7,10H2,1-4H3
InChIKeyKEOFEZHOZQVBRZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.03
Rot. Bonds7

About 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone

1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone (PubChem CID 82053584) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone
PubChem CID82053584
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone
SMILESCCCOc1cc(C)c(C(=O)CSCC)cc1C
InChIInChI=1S/C15H22O2S/c1-5-7-17-15-9-11(3)13(8-12(15)4)14(16)10-18-6-2/h8-9H,5-7,10H2,1-4H3
InChIKeyKEOFEZHOZQVBRZ-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethyl-4-propoxyphenyl)-2-propylsulfanylethanone
CID 82053582
2-chloro-1-(2,5-dimethyl-4-propoxyphenyl)ethanone
CID 82053559
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193553
ethyl 2-(2,5-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552278
(E)-4-(2,5-dimethyl-4-propoxyphenyl)-4-oxobut-2-enoic acid
CID 82053552
2-propylsulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 43802074
2-chloro-1-(4,5-dimethyl-2-propoxyphenyl)ethanone
CID 82053916
methyl (E)-4-(2,5-dimethyl-4-propoxyphenyl)-4-oxobut-2-enoate
CID 82552294
1-(2-methoxy-4,5-dimethylphenyl)-2-propylsulfanylethanone
CID 82053856
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone?
The IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone (CID 82053584) is 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone.
What is the SMILES notation for 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone?
The canonical SMILES for 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone is CCCOc1cc(C)c(C(=O)CSCC)cc1C.
What is the InChIKey of 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone?
The InChIKey is KEOFEZHOZQVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-5-7-17-15-9-11(3)13(8-12(15)4)14(16)10-18-6-2/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone?
1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone has a molecular weight of 266.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-propoxyphenyl)-2-ethylsulfanylethanone is sourced from PubChem (CID 82053584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).