1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one

C15H15ClO2S — CID 43799802

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
SMILESCc1cccc(OC(C)C(=O)c2ccc(Cl)s2)c1C
InChIInChI=1S/C15H15ClO2S/c1-9-5-4-6-12(10(9)2)18-11(3)15(17)13-7-8-14(16)19-13/h4-8,11H,1-3H3
InChIKeyPUDKDCPGILNPLA-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.67
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one (PubChem CID 43799802) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
PubChem CID43799802
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
SMILESCc1cccc(OC(C)C(=O)c2ccc(Cl)s2)c1C
InChIInChI=1S/C15H15ClO2S/c1-9-5-4-6-12(10(9)2)18-11(3)15(17)13-7-8-14(16)19-13/h4-8,11H,1-3H3
InChIKeyPUDKDCPGILNPLA-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 107725139
1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one
CID 64640149
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-(2-bromo-5-nitrophenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 103011080
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
(2R)-2-(2,3-dimethylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid
CID 125466588
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
2-(1,3-benzodioxol-5-yloxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43799201
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 105111629
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one (CID 43799802) is 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one is Cc1cccc(OC(C)C(=O)c2ccc(Cl)s2)c1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one?
The InChIKey is PUDKDCPGILNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-9-5-4-6-12(10(9)2)18-11(3)15(17)13-7-8-14(16)19-13/h4-8,11H,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one has a molecular weight of 294.80 g/mol, XLogP of 4.67, 4 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-(2,3-dimethylphenoxy)propan-1-one is sourced from PubChem (CID 43799802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).