2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid

C14H12O4S — CID 3509505

IUPAC2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid
SMILESCOc1ccc(C(=O)c2ccc(CC(=O)O)s2)cc1
InChIInChI=1S/C14H12O4S/c1-18-10-4-2-9(3-5-10)14(17)12-7-6-11(19-12)8-13(15)16/h2-7H,8H2,1H3,(H,15,16)
InChIKeyKKKMGWSQWVYAKD-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.61
Rot. Bonds5

About 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid

2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid (PubChem CID 3509505) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid
PubChem CID3509505
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid
SMILESCOc1ccc(C(=O)c2ccc(CC(=O)O)s2)cc1
InChIInChI=1S/C14H12O4S/c1-18-10-4-2-9(3-5-10)14(17)12-7-6-11(19-12)8-13(15)16/h2-7H,8H2,1H3,(H,15,16)
InChIKeyKKKMGWSQWVYAKD-UHFFFAOYSA-N
XLogP2.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid (CID 3509505) is 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid is COc1ccc(C(=O)c2ccc(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid?
The InChIKey is KKKMGWSQWVYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c1-18-10-4-2-9(3-5-10)14(17)12-7-6-11(19-12)8-13(15)16/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid?
2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid has a molecular weight of 276.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxybenzoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 3509505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).