1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone

C14H12Cl2O3S — CID 62031401

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
SMILESCOc1ccc(COCC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H12Cl2O3S/c1-18-10-4-2-9(3-5-10)7-19-8-12(17)11-6-13(15)20-14(11)16/h2-6H,7-8H2,1H3
InChIKeyRBTITZJQOFUVKM-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.46
Rot. Bonds6

About 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone (PubChem CID 62031401) has the molecular formula C14H12Cl2O3S and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
PubChem CID62031401
Molecular FormulaC14H12Cl2O3S
Molecular Weight331.22 g/mol
Exact Mass329.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
SMILESCOc1ccc(COCC(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H12Cl2O3S/c1-18-10-4-2-9(3-5-10)7-19-8-12(17)11-6-13(15)20-14(11)16/h2-6H,7-8H2,1H3
InChIKeyRBTITZJQOFUVKM-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
CID 104563843
1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43220131
1-(2,5-dichlorothiophen-3-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60652429
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2,5-dichlorothiophene-3-carboxylate
CID 35289032
1-(2,5-dichlorothiophen-3-yl)-2-(3-methoxy-3-methylbutoxy)ethanone
CID 106666271
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
1-(2-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031532
2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694329
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone (CID 62031401) is 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone is COc1ccc(COCC(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
The InChIKey is RBTITZJQOFUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3S/c1-18-10-4-2-9(3-5-10)7-19-8-12(17)11-6-13(15)20-14(11)16/h2-6H,7-8H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone has a molecular weight of 331.22 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone is sourced from PubChem (CID 62031401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).