1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one

C16H17ClO2S — CID 43799779

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClO2S/c1-10(2)12-4-6-13(7-5-12)19-11(3)16(18)14-8-9-15(17)20-14/h4-11H,1-3H3
InChIKeyAXRWSEZQJSRLCQ-UHFFFAOYSA-N
MW308.83 g/mol
LogP5.18
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one (PubChem CID 43799779) has the molecular formula C16H17ClO2S and a molecular weight of 308.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
PubChem CID43799779
Molecular FormulaC16H17ClO2S
Molecular Weight308.83 g/mol
Exact Mass308.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClO2S/c1-10(2)12-4-6-13(7-5-12)19-11(3)16(18)14-8-9-15(17)20-14/h4-11H,1-3H3
InChIKeyAXRWSEZQJSRLCQ-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.83
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43799201
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 107725139
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43411964
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43411936
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
CID 62140850
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 105111629
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one (CID 43799779) is 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one is CC(Oc1ccc(C(C)C)cc1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one?
The InChIKey is AXRWSEZQJSRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2S/c1-10(2)12-4-6-13(7-5-12)19-11(3)16(18)14-8-9-15(17)20-14/h4-11H,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one has a molecular weight of 308.83 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 43799779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).