1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one

C15H15ClO2S — CID 105094097

IUPAC1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)CCCc1cccs1
InChIInChI=1S/C15H15ClO2S/c1-18-15-8-7-11(16)10-13(15)14(17)6-2-4-12-5-3-9-19-12/h3,5,7-10H,2,4,6H2,1H3
InChIKeyBSCWMZPKDHPJAJ-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.62
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one

1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one (PubChem CID 105094097) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
PubChem CID105094097
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)CCCc1cccs1
InChIInChI=1S/C15H15ClO2S/c1-18-15-8-7-11(16)10-13(15)14(17)6-2-4-12-5-3-9-19-12/h3,5,7-10H,2,4,6H2,1H3
InChIKeyBSCWMZPKDHPJAJ-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
5-bromo-1-(5-chloro-2-methoxyphenyl)pentan-1-one
CID 146005779
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
4-(4-tert-butylphenyl)-1-(5-chloro-2-methoxyphenyl)butan-1-one
CID 160827198
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 55308044
5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 116610213
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
CID 154103735

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one (CID 105094097) is 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one is COc1ccc(Cl)cc1C(=O)CCCc1cccs1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is BSCWMZPKDHPJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-18-15-8-7-11(16)10-13(15)14(17)6-2-4-12-5-3-9-19-12/h3,5,7-10H,2,4,6H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one?
1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 294.80 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 105094097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).