1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone

C16H18O3S — CID 82050687

IUPAC1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESCCOc1ccc(C)cc1C(=O)CSCc1ccco1
InChIInChI=1S/C16H18O3S/c1-3-18-16-7-6-12(2)9-14(16)15(17)11-20-10-13-5-4-8-19-13/h4-9H,3,10-11H2,1-2H3
InChIKeyFNGSFMCMNODDQZ-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.10
Rot. Bonds7

About 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone

1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone (PubChem CID 82050687) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
PubChem CID82050687
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESCCOc1ccc(C)cc1C(=O)CSCc1ccco1
InChIInChI=1S/C16H18O3S/c1-3-18-16-7-6-12(2)9-14(16)15(17)11-20-10-13-5-4-8-19-13/h4-9H,3,10-11H2,1-2H3
InChIKeyFNGSFMCMNODDQZ-UHFFFAOYSA-N
XLogP4.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(furan-2-ylmethylsulfanyl)-4-oxopentanoate
CID 103485680
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
CID 82050332
1-(2,5-dibromothiophen-3-yl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43220024
1-(5-methyl-2-prop-2-enoxyphenyl)-2-propylsulfanylethanone
CID 82052126
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
2-(furan-2-ylmethylsulfanyl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050436
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43412900
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81397099
(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 92683250
2-(2-chloro-5-methylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113714
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone (CID 82050687) is 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone is CCOc1ccc(C)cc1C(=O)CSCc1ccco1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The InChIKey is FNGSFMCMNODDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-3-18-16-7-6-12(2)9-14(16)15(17)11-20-10-13-5-4-8-19-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone has a molecular weight of 290.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 82050687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).