(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone

C14H13ClO2S — CID 82053103

IUPAC(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
SMILESCCOc1cc(C)c(Cl)cc1C(=O)c1cccs1
InChIInChI=1S/C14H13ClO2S/c1-3-17-12-7-9(2)11(15)8-10(12)14(16)13-5-4-6-18-13/h4-8H,3H2,1-2H3
InChIKeyXQXIEWINWNXSRG-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.34
Rot. Bonds4

About (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone

(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone (PubChem CID 82053103) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
PubChem CID82053103
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
SMILESCCOc1cc(C)c(Cl)cc1C(=O)c1cccs1
InChIInChI=1S/C14H13ClO2S/c1-3-17-12-7-9(2)11(15)8-10(12)14(16)13-5-4-6-18-13/h4-8H,3H2,1-2H3
InChIKeyXQXIEWINWNXSRG-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
CID 90733017
(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 82054009
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
methyl 4-(5-chloro-2-ethoxy-4-methylphenyl)-4-oxobutanoate
CID 82553262
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
CID 5151105
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone (CID 82053103) is (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone is CCOc1cc(C)c(Cl)cc1C(=O)c1cccs1.
What is the InChIKey of (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone?
The InChIKey is XQXIEWINWNXSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-3-17-12-7-9(2)11(15)8-10(12)14(16)13-5-4-6-18-13/h4-8H,3H2,1-2H3.
What are the key properties of (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone?
(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone has a molecular weight of 280.78 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82053103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).