methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate

C13H11ClO3S — CID 55372452

IUPACmethyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H11ClO3S/c1-16-13(15)9-2-4-10(5-3-9)17-8-11-6-7-12(14)18-11/h2-7H,8H2,1H3
InChIKeyPMSOQHZVNPPAOH-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.77
Rot. Bonds4

About methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate

methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate (PubChem CID 55372452) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate
PubChem CID55372452
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Namemethyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H11ClO3S/c1-16-13(15)9-2-4-10(5-3-9)17-8-11-6-7-12(14)18-11/h2-7H,8H2,1H3
InChIKeyPMSOQHZVNPPAOH-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(phenoxymethyl)thiophene
CID 60655556
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
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2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 55096306
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
dimethyl 5-[(5-chlorothiophen-2-yl)methylamino]benzene-1,3-dicarboxylate
CID 78822309
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[(5-chlorothiophen-2-yl)methylamino]-3-methylbenzoate
CID 43730493
(5-chlorothiophen-2-yl)methyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55925620
5-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620512
(5-chlorothiophen-2-yl)methyl 4-formylbenzoate
CID 55313426
methyl 4-(2-amino-2-methylpropoxy)benzoate
CID 117053561
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate?
The IUPAC name of methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate (CID 55372452) is methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(Cl)s2)cc1.
What is the InChIKey of methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate?
The InChIKey is PMSOQHZVNPPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-16-13(15)9-2-4-10(5-3-9)17-8-11-6-7-12(14)18-11/h2-7H,8H2,1H3.
What are the key properties of methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate?
methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate has a molecular weight of 282.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chlorothiophen-2-yl)methoxy]benzoate is sourced from PubChem (CID 55372452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).