2-chloro-1-(4-methoxythiophen-2-yl)ethanone

C7H7ClO2S — CID 81140445

IUPAC2-chloro-1-(4-methoxythiophen-2-yl)ethanone
SMILESCOc1csc(C(=O)CCl)c1
InChIInChI=1S/C7H7ClO2S/c1-10-5-2-7(11-4-5)6(9)3-8/h2,4H,3H2,1H3
InChIKeyPEYMMPTYJDKAOB-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.18
Rot. Bonds3

About 2-chloro-1-(4-methoxythiophen-2-yl)ethanone

2-chloro-1-(4-methoxythiophen-2-yl)ethanone (PubChem CID 81140445) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is 2-chloro-1-(4-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-methoxythiophen-2-yl)ethanone
PubChem CID81140445
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name2-chloro-1-(4-methoxythiophen-2-yl)ethanone
SMILESCOc1csc(C(=O)CCl)c1
InChIInChI=1S/C7H7ClO2S/c1-10-5-2-7(11-4-5)6(9)3-8/h2,4H,3H2,1H3
InChIKeyPEYMMPTYJDKAOB-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
CID 172680009
1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-one
CID 114969694
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
2-(4-methoxythiophen-2-yl)-2-oxoacetaldehyde
CID 139828068
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(4-methoxythiophen-2-yl)ethanone (CID 81140445) is 2-chloro-1-(4-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4-methoxythiophen-2-yl)ethanone is COc1csc(C(=O)CCl)c1.
What is the InChIKey of 2-chloro-1-(4-methoxythiophen-2-yl)ethanone?
The InChIKey is PEYMMPTYJDKAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-10-5-2-7(11-4-5)6(9)3-8/h2,4H,3H2,1H3.
What are the key properties of 2-chloro-1-(4-methoxythiophen-2-yl)ethanone?
2-chloro-1-(4-methoxythiophen-2-yl)ethanone has a molecular weight of 190.65 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 81140445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).