5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid

C13H11ClO3S — CID 113404029

IUPAC5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid
SMILESCCc1cc(Oc2ccc(C(=O)O)s2)ccc1Cl
InChIInChI=1S/C13H11ClO3S/c1-2-8-7-9(3-4-10(8)14)17-12-6-5-11(18-12)13(15)16/h3-7H,2H2,1H3,(H,15,16)
InChIKeyQDZGHGZYXNEQPD-UHFFFAOYSA-N
MW282.75 g/mol
LogP4.45
Rot. Bonds4

About 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid

5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid (PubChem CID 113404029) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid
PubChem CID113404029
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid
SMILESCCc1cc(Oc2ccc(C(=O)O)s2)ccc1Cl
InChIInChI=1S/C13H11ClO3S/c1-2-8-7-9(3-4-10(8)14)17-12-6-5-11(18-12)13(15)16/h3-7H,2H2,1H3,(H,15,16)
InChIKeyQDZGHGZYXNEQPD-UHFFFAOYSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 60986682
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
4-chloro-3-ethylbenzoic acid
CID 21412279
5-[3-[5-chloro-2-[(4-chloro-3-ethylphenoxy)methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
CID 67211994
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
[5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80621135
5-(3-nitrophenoxy)thiophene-2-carboxylic acid
CID 113404033
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid (CID 113404029) is 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid is CCc1cc(Oc2ccc(C(=O)O)s2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid?
The InChIKey is QDZGHGZYXNEQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-2-8-7-9(3-4-10(8)14)17-12-6-5-11(18-12)13(15)16/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid?
5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid has a molecular weight of 282.75 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 113404029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).