2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid

C18H14O5S — CID 15234003

IUPAC2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyIANOEARWEWNMSC-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.63
Rot. Bonds7

About 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid

2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid (PubChem CID 15234003) has the molecular formula C18H14O5S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid
PubChem CID15234003
Molecular FormulaC18H14O5S
Molecular Weight342.37 g/mol
Exact Mass342.06
IUPAC Name2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyIANOEARWEWNMSC-UHFFFAOYSA-N
XLogP3.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid?
The IUPAC name of 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid (CID 15234003) is 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid is O=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1.
What is the InChIKey of 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid?
The InChIKey is IANOEARWEWNMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid?
2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid has a molecular weight of 342.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-naphthalen-2-yloxyethoxy)thiophen-2-yl]-2-oxoacetic acid is sourced from PubChem (CID 15234003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).