1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone

C16H18O3S — CID 43612371

IUPAC1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H18O3S/c1-3-10-18-13-5-7-14(8-6-13)19-11-15(17)16-9-4-12(2)20-16/h4-9H,3,10-11H2,1-2H3
InChIKeyJPXIZYPWMLPGKJ-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.11
Rot. Bonds7

About 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone

1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone (PubChem CID 43612371) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
PubChem CID43612371
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H18O3S/c1-3-10-18-13-5-7-14(8-6-13)19-11-15(17)16-9-4-12(2)20-16/h4-9H,3,10-11H2,1-2H3
InChIKeyJPXIZYPWMLPGKJ-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-methylthiophen-2-yl)ethanone
CID 64601849
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62034019
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
CID 30235975
1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033658
N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 43222115

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone (CID 43612371) is 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone is CCCOc1ccc(OCC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone?
The InChIKey is JPXIZYPWMLPGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-3-10-18-13-5-7-14(8-6-13)19-11-15(17)16-9-4-12(2)20-16/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone?
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone has a molecular weight of 290.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone is sourced from PubChem (CID 43612371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).