5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid

C15H16O3S — CID 167136873

IUPAC5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
SMILESCC(C)COc1ccccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C15H16O3S/c1-10(2)9-18-12-6-4-3-5-11(12)13-7-8-14(19-13)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyGCQOJJQRHSBVAS-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.15
Rot. Bonds5

About 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid

5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid (PubChem CID 167136873) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
PubChem CID167136873
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
SMILESCC(C)COc1ccccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C15H16O3S/c1-10(2)9-18-12-6-4-3-5-11(12)13-7-8-14(19-13)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyGCQOJJQRHSBVAS-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
5-[3-(carboxymethoxy)-4-methylnaphthalen-2-yl]thiophene-2-carboxylic acid
CID 91322854
ethyl-[4-[2-(2-methylpropoxy)phenyl]phenyl]carbamic acid
CID 69347425
sulfanyl 2-(2-methylpropoxy)benzoate
CID 166873129
3-[2-(2-methylpropoxy)phenyl]pyridine-2,6-diamine
CID 139370148
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
2-[2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]propan-2-amine
CID 82452952
2-chloro-6-(2-methylpropoxy)benzoic acid
CID 19005159
2-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]propan-1-one
CID 43331703
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
ethyl 5-[2-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400116

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid (CID 167136873) is 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid is CC(C)COc1ccccc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid?
The InChIKey is GCQOJJQRHSBVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-10(2)9-18-12-6-4-3-5-11(12)13-7-8-14(19-13)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid?
5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 167136873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).