(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone

C15H15ClO2S — CID 82053341

IUPAC(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCCOc1cc(C)c(Cl)c(C)c1C(=O)c1cccs1
InChIInChI=1S/C15H15ClO2S/c1-4-18-11-8-9(2)14(16)10(3)13(11)15(17)12-6-5-7-19-12/h5-8H,4H2,1-3H3
InChIKeyRTUIGZBPJQQOGY-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.65
Rot. Bonds4

About (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone

(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone (PubChem CID 82053341) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
PubChem CID82053341
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCCOc1cc(C)c(Cl)c(C)c1C(=O)c1cccs1
InChIInChI=1S/C15H15ClO2S/c1-4-18-11-8-9(2)14(16)10(3)13(11)15(17)12-6-5-7-19-12/h5-8H,4H2,1-3H3
InChIKeyRTUIGZBPJQQOGY-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
CID 82053103
(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 82054009
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
CID 90733017
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
(4-chloro-3,5-dimethylphenyl) thiophene-2-carboxylate
CID 718567
ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate
CID 136880134
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82553125
(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone
CID 71444247
(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone
CID 82265361
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone (CID 82053341) is (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone is CCOc1cc(C)c(Cl)c(C)c1C(=O)c1cccs1.
What is the InChIKey of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone?
The InChIKey is RTUIGZBPJQQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-4-18-11-8-9(2)14(16)10(3)13(11)15(17)12-6-5-7-19-12/h5-8H,4H2,1-3H3.
What are the key properties of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone?
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone has a molecular weight of 294.80 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82053341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).