2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone

C13H10Cl2O2S — CID 65126522

IUPAC2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COCc1cccc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2O2S/c14-10-3-1-2-9(6-10)7-17-8-11(16)12-4-5-13(15)18-12/h1-6H,7-8H2
InChIKeyNUPAHZDMMDIDCN-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.45
Rot. Bonds5

About 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone

2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 65126522) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID65126522
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(COCc1cccc(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2O2S/c14-10-3-1-2-9(6-10)7-17-8-11(16)12-4-5-13(15)18-12/h1-6H,7-8H2
InChIKeyNUPAHZDMMDIDCN-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
CID 62030962
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238039
2-[(3-chlorophenyl)methoxy]-1-(2,4-dimethylphenyl)ethanone
CID 65125946
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
CID 77056910
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
CID 62504415
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035928

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone (CID 65126522) is 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone is O=C(COCc1cccc(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is NUPAHZDMMDIDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c14-10-3-1-2-9(6-10)7-17-8-11(16)12-4-5-13(15)18-12/h1-6H,7-8H2.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone?
2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 301.19 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 65126522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).