1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one

C14H20O3S — CID 114221891

IUPAC1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one
SMILESCOCCOc1ccccc1C(=O)C(C)CSC
InChIInChI=1S/C14H20O3S/c1-11(10-18-3)14(15)12-6-4-5-7-13(12)17-9-8-16-2/h4-7,11H,8-10H2,1-3H3
InChIKeyDWVDKIQSVIJPQP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.89
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one

1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one (PubChem CID 114221891) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one
PubChem CID114221891
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one
SMILESCOCCOc1ccccc1C(=O)C(C)CSC
InChIInChI=1S/C14H20O3S/c1-11(10-18-3)14(15)12-6-4-5-7-13(12)17-9-8-16-2/h4-7,11H,8-10H2,1-3H3
InChIKeyDWVDKIQSVIJPQP-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
CID 116607622
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one (CID 114221891) is 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one is COCCOc1ccccc1C(=O)C(C)CSC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one?
The InChIKey is DWVDKIQSVIJPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-11(10-18-3)14(15)12-6-4-5-7-13(12)17-9-8-16-2/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one?
1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one has a molecular weight of 268.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 114221891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).