(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone

C13H10Cl2O2S — CID 43344791

IUPAC(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2O2S/c1-2-17-10-6-4-3-5-8(10)12(16)9-7-11(14)18-13(9)15/h3-7H,2H2,1H3
InChIKeyVTLXKPKPAPKDQO-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.68
Rot. Bonds4

About (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone

(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone (PubChem CID 43344791) has the molecular formula C13H10Cl2O2S and a molecular weight of 301.19 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
PubChem CID43344791
Molecular FormulaC13H10Cl2O2S
Molecular Weight301.19 g/mol
Exact Mass299.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2O2S/c1-2-17-10-6-4-3-5-8(10)12(16)9-7-11(14)18-13(9)15/h3-7H,2H2,1H3
InChIKeyVTLXKPKPAPKDQO-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone
CID 103407639
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107959921
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105097627
2,5-dichloro-N'-(4-ethoxybenzoyl)thiophene-3-carbohydrazide
CID 26767393

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone (CID 43344791) is (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is VTLXKPKPAPKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2S/c1-2-17-10-6-4-3-5-8(10)12(16)9-7-11(14)18-13(9)15/h3-7H,2H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone?
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 301.19 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 43344791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).