2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one

C14H13ClO2S — CID 105111629

IUPAC2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(Cl)c2)s1
InChIInChI=1S/C14H13ClO2S/c1-9-6-7-13(18-9)14(16)10(2)17-12-5-3-4-11(15)8-12/h3-8,10H,1-2H3
InChIKeyUPZXZFBVVJAICL-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.36
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one

2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one (PubChem CID 105111629) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
PubChem CID105111629
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2cccc(Cl)c2)s1
InChIInChI=1S/C14H13ClO2S/c1-9-6-7-13(18-9)14(16)10(2)17-12-5-3-4-11(15)8-12/h3-8,10H,1-2H3
InChIKeyUPZXZFBVVJAICL-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
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[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
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2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 107725139
2-(3-chlorophenoxy)-1-(cyclohexen-1-yl)propan-1-one
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2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one (CID 105111629) is 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
The InChIKey is UPZXZFBVVJAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-9-6-7-13(18-9)14(16)10(2)17-12-5-3-4-11(15)8-12/h3-8,10H,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one has a molecular weight of 280.78 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 105111629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).