2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone

C20H18O2S — CID 22010406

IUPAC2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone
SMILESCc1ccccc1CC(=O)c1cccc(OCc2ccsc2)c1
InChIInChI=1S/C20H18O2S/c1-15-5-2-3-6-17(15)12-20(21)18-7-4-8-19(11-18)22-13-16-9-10-23-14-16/h2-11,14H,12-13H2,1H3
InChIKeyVQBDYBDRGBEICR-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.06
Rot. Bonds6

About 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone

2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone (PubChem CID 22010406) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone
PubChem CID22010406
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Name2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone
SMILESCc1ccccc1CC(=O)c1cccc(OCc2ccsc2)c1
InChIInChI=1S/C20H18O2S/c1-15-5-2-3-6-17(15)12-20(21)18-7-4-8-19(11-18)22-13-16-9-10-23-14-16/h2-11,14H,12-13H2,1H3
InChIKeyVQBDYBDRGBEICR-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
(4S)-4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-3-ylmethoxy)phenyl]pentanoic acid
CID 10692031
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
CID 174587955
1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
CID 159572663
prop-2-ynyl 3-[(2-methylphenyl)methoxy]benzoate
CID 91681572
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
(4R)-4-[2-(3-carboxypropanoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid
CID 70223777
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone (CID 22010406) is 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone is Cc1ccccc1CC(=O)c1cccc(OCc2ccsc2)c1.
What is the InChIKey of 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone?
The InChIKey is VQBDYBDRGBEICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c1-15-5-2-3-6-17(15)12-20(21)18-7-4-8-19(11-18)22-13-16-9-10-23-14-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone?
2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[3-(thiophen-3-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 22010406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).