phenyl 5-chlorothiophene-2-carboxylate

C11H7ClO2S — CID 84819861

IUPACphenyl 5-chlorothiophene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClO2S/c12-10-7-6-9(15-10)11(13)14-8-4-2-1-3-5-8/h1-7H
InChIKeyWQEWOLCQSYBXJM-UHFFFAOYSA-N
MW238.70 g/mol
LogP3.62
Rot. Bonds2

About phenyl 5-chlorothiophene-2-carboxylate

phenyl 5-chlorothiophene-2-carboxylate (PubChem CID 84819861) has the molecular formula C11H7ClO2S and a molecular weight of 238.70 g/mol. Its IUPAC name is phenyl 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Namephenyl 5-chlorothiophene-2-carboxylate
PubChem CID84819861
Molecular FormulaC11H7ClO2S
Molecular Weight238.70 g/mol
Exact Mass237.99
IUPAC Namephenyl 5-chlorothiophene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClO2S/c12-10-7-6-9(15-10)11(13)14-8-4-2-1-3-5-8/h1-7H
InChIKeyWQEWOLCQSYBXJM-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate
CID 55306617
[(2S)-1-chloro-3-[(5-chlorothiophene-2-carbonyl)amino]propan-2-yl] phenyl carbonate
CID 89478513
5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 841081
diphenyl 2,5-dichlorobenzene-1,4-dicarboxylate
CID 154094217
[2-(dibenzylamino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 4845023
2-O-phenyl 5-O-(9H-xanthen-9-yl) thiophene-2,5-dicarboxylate
CID 143114506
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
CID 62030962
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372890
phenyl 4-[(R)-[(5-chlorothiophene-2-carbonyl)amino]-cyclopropylmethyl]piperidine-1-carboxylate
CID 137372964
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137

Frequently Asked Questions

What is the IUPAC name of phenyl 5-chlorothiophene-2-carboxylate?
The IUPAC name of phenyl 5-chlorothiophene-2-carboxylate (CID 84819861) is phenyl 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for phenyl 5-chlorothiophene-2-carboxylate?
The canonical SMILES for phenyl 5-chlorothiophene-2-carboxylate is O=C(Oc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of phenyl 5-chlorothiophene-2-carboxylate?
The InChIKey is WQEWOLCQSYBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2S/c12-10-7-6-9(15-10)11(13)14-8-4-2-1-3-5-8/h1-7H.
What are the key properties of phenyl 5-chlorothiophene-2-carboxylate?
phenyl 5-chlorothiophene-2-carboxylate has a molecular weight of 238.70 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 84819861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).