5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid

C14H14O3S — CID 28941882

IUPAC5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C14H14O3S/c1-9(2)17-11-5-3-10(4-6-11)12-7-8-13(18-12)14(15)16/h3-9H,1-2H3,(H,15,16)
InChIKeyMJOZHNDDBIBKTL-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.90
Rot. Bonds4

About 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid

5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid (PubChem CID 28941882) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
PubChem CID28941882
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C14H14O3S/c1-9(2)17-11-5-3-10(4-6-11)12-7-8-13(18-12)14(15)16/h3-9H,1-2H3,(H,15,16)
InChIKeyMJOZHNDDBIBKTL-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
CID 119221199
[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
CID 119402846
4-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173095
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
CID 82483342
5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid
CID 142940880
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide
CID 119584154
5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
CID 54562446
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
CID 94274161

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid (CID 28941882) is 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid is CC(C)Oc1ccc(-c2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is MJOZHNDDBIBKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9(2)17-11-5-3-10(4-6-11)12-7-8-13(18-12)14(15)16/h3-9H,1-2H3,(H,15,16).
What are the key properties of 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid?
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 28941882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).