[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone

C19H14Cl2O2S — CID 90733017

IUPAC[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
SMILESCCOc1ccc(-c2ccc(Cl)cc2Cl)cc1C(=O)c1cccs1
InChIInChI=1S/C19H14Cl2O2S/c1-2-23-17-8-5-12(14-7-6-13(20)11-16(14)21)10-15(17)19(22)18-4-3-9-24-18/h3-11H,2H2,1H3
InChIKeyGHVGIFALUYKZSO-UHFFFAOYSA-N
MW377.29 g/mol
LogP6.35
Rot. Bonds5

About [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone

[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone (PubChem CID 90733017) has the molecular formula C19H14Cl2O2S and a molecular weight of 377.29 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
PubChem CID90733017
Molecular FormulaC19H14Cl2O2S
Molecular Weight377.29 g/mol
Exact Mass376.01
IUPAC Name[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
SMILESCCOc1ccc(-c2ccc(Cl)cc2Cl)cc1C(=O)c1cccs1
InChIInChI=1S/C19H14Cl2O2S/c1-2-23-17-8-5-12(14-7-6-13(20)11-16(14)21)10-15(17)19(22)18-4-3-9-24-18/h3-11H,2H2,1H3
InChIKeyGHVGIFALUYKZSO-UHFFFAOYSA-N
XLogP6.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.35
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
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid
CID 154457318
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
ethyl 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxylate
CID 136880134
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone?
The IUPAC name of [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone (CID 90733017) is [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone is CCOc1ccc(-c2ccc(Cl)cc2Cl)cc1C(=O)c1cccs1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone?
The InChIKey is GHVGIFALUYKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O2S/c1-2-23-17-8-5-12(14-7-6-13(20)11-16(14)21)10-15(17)19(22)18-4-3-9-24-18/h3-11H,2H2,1H3.
What are the key properties of [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone?
[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone has a molecular weight of 377.29 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 90733017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).