2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone

C16H17ClO2S — CID 63567788

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
SMILESCc1cc(Cl)c(C(C)C)cc1OCC(=O)c1cccs1
InChIInChI=1S/C16H17ClO2S/c1-10(2)12-8-15(11(3)7-13(12)17)19-9-14(18)16-5-4-6-20-16/h4-8,10H,9H2,1-3H3
InChIKeyYMDJIAUVXMKFNM-UHFFFAOYSA-N
MW308.83 g/mol
LogP5.10
Rot. Bonds5

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone (PubChem CID 63567788) has the molecular formula C16H17ClO2S and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
PubChem CID63567788
Molecular FormulaC16H17ClO2S
Molecular Weight308.83 g/mol
Exact Mass308.06
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
SMILESCc1cc(Cl)c(C(C)C)cc1OCC(=O)c1cccs1
InChIInChI=1S/C16H17ClO2S/c1-10(2)12-8-15(11(3)7-13(12)17)19-9-14(18)16-5-4-6-20-16/h4-8,10H,9H2,1-3H3
InChIKeyYMDJIAUVXMKFNM-UHFFFAOYSA-N
XLogP5.10
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 ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 43412118
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416095
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18276979
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 3495541
4-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793596

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone (CID 63567788) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone is Cc1cc(Cl)c(C(C)C)cc1OCC(=O)c1cccs1.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
The InChIKey is YMDJIAUVXMKFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2S/c1-10(2)12-8-15(11(3)7-13(12)17)19-9-14(18)16-5-4-6-20-16/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone has a molecular weight of 308.83 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 63567788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).