1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone

C14H20O3S — CID 60625228

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CSCC(C)C)c1
InChIInChI=1S/C14H20O3S/c1-10(2)8-18-9-13(15)12-7-11(16-3)5-6-14(12)17-4/h5-7,10H,8-9H2,1-4H3
InChIKeyDUBJHBYAXVNFFT-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.28
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone

1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone (PubChem CID 60625228) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
PubChem CID60625228
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CSCC(C)C)c1
InChIInChI=1S/C14H20O3S/c1-10(2)8-18-9-13(15)12-7-11(16-3)5-6-14(12)17-4/h5-7,10H,8-9H2,1-4H3
InChIKeyDUBJHBYAXVNFFT-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 65137967
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43220189
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
CID 70041189
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone
CID 6404288
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2360410

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone (CID 60625228) is 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone is COc1ccc(OC)c(C(=O)CSCC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
The InChIKey is DUBJHBYAXVNFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-10(2)8-18-9-13(15)12-7-11(16-3)5-6-14(12)17-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone?
1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone has a molecular weight of 268.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone is sourced from PubChem (CID 60625228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).