1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone

C15H16O3S — CID 62032194

IUPAC1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COCc1cccs1
InChIInChI=1S/C15H16O3S/c1-11(16)12-5-6-15(17-2)13(8-12)9-18-10-14-4-3-7-19-14/h3-8H,9-10H2,1-2H3
InChIKeyXLINBBGASBCTSA-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.68
Rot. Bonds6

About 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone

1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone (PubChem CID 62032194) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone
PubChem CID62032194
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COCc1cccs1
InChIInChI=1S/C15H16O3S/c1-11(16)12-5-6-15(17-2)13(8-12)9-18-10-14-4-3-7-19-14/h3-8H,9-10H2,1-2H3
InChIKeyXLINBBGASBCTSA-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
CID 63073470
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone
CID 103284445
2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline
CID 54967007
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
2-(5-acetyl-2-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161796
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
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CID 55078933

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone (CID 62032194) is 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone is COc1ccc(C(C)=O)cc1COCc1cccs1.
What is the InChIKey of 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone?
The InChIKey is XLINBBGASBCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-11(16)12-5-6-15(17-2)13(8-12)9-18-10-14-4-3-7-19-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone?
1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone has a molecular weight of 276.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone is sourced from PubChem (CID 62032194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).