2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate

C16H14Cl2O5S — CID 3061148

IUPAC2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate
SMILESCOCCOC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2O5S/c1-21-6-7-22-13(19)9-23-11-5-4-10(14(17)15(11)18)16(20)12-3-2-8-24-12/h2-5,8H,6-7,9H2,1H3
InChIKeyBMOLRVXVPKRJLZ-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.85
Rot. Bonds8

About 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate

2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate (PubChem CID 3061148) has the molecular formula C16H14Cl2O5S and a molecular weight of 389.26 g/mol. Its IUPAC name is 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate
PubChem CID3061148
Molecular FormulaC16H14Cl2O5S
Molecular Weight389.26 g/mol
Exact Mass387.99
IUPAC Name2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate
SMILESCOCCOC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2O5S/c1-21-6-7-22-13(19)9-23-11-5-4-10(14(17)15(11)18)16(20)12-3-2-8-24-12/h2-5,8H,6-7,9H2,1H3
InChIKeyBMOLRVXVPKRJLZ-UHFFFAOYSA-N
XLogP3.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate?
The IUPAC name of 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate (CID 3061148) is 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate?
The canonical SMILES for 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate is COCCOC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl.
What is the InChIKey of 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate?
The InChIKey is BMOLRVXVPKRJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O5S/c1-21-6-7-22-13(19)9-23-11-5-4-10(14(17)15(11)18)16(20)12-3-2-8-24-12/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate?
2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate has a molecular weight of 389.26 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetate is sourced from PubChem (CID 3061148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).