2-(3-chlorophenoxy)-1-thiophen-2-ylethanone

C12H9ClO2S — CID 60625787

IUPAC2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H9ClO2S/c13-9-3-1-4-10(7-9)15-8-11(14)12-5-2-6-16-12/h1-7H,8H2
InChIKeyLRZPHOVHULEFRR-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.66
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone

2-(3-chlorophenoxy)-1-thiophen-2-ylethanone (PubChem CID 60625787) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
PubChem CID60625787
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H9ClO2S/c13-9-3-1-4-10(7-9)15-8-11(14)12-5-2-6-16-12/h1-7H,8H2
InChIKeyLRZPHOVHULEFRR-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 43412118
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
CID 66437353

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone (CID 60625787) is 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone is O=C(COc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone?
The InChIKey is LRZPHOVHULEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c13-9-3-1-4-10(7-9)15-8-11(14)12-5-2-6-16-12/h1-7H,8H2.
What are the key properties of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone?
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone has a molecular weight of 252.72 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 60625787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).