1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone

C13H11ClO2S — CID 62074767

IUPAC1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1ccsc1
InChIInChI=1S/C13H11ClO2S/c1-9(15)12-6-11(14)2-3-13(12)16-7-10-4-5-17-8-10/h2-6,8H,7H2,1H3
InChIKeyCAVRVYOXZWXOOO-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.18
Rot. Bonds4

About 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone

1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone (PubChem CID 62074767) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone
PubChem CID62074767
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1ccsc1
InChIInChI=1S/C13H11ClO2S/c1-9(15)12-6-11(14)2-3-13(12)16-7-10-4-5-17-8-10/h2-6,8H,7H2,1H3
InChIKeyCAVRVYOXZWXOOO-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
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1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
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4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
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2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
1-[5-chloro-2-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115646908
1-[5-chloro-2-[2-(chloromethyl)prop-2-enoxy]phenyl]ethanone
CID 103066099
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanone
CID 66046437
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
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3-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpropanoic acid
CID 79623384

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone (CID 62074767) is 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone is CC(=O)c1cc(Cl)ccc1OCc1ccsc1.
What is the InChIKey of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone?
The InChIKey is CAVRVYOXZWXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-9(15)12-6-11(14)2-3-13(12)16-7-10-4-5-17-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone?
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone has a molecular weight of 266.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 62074767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).