2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid

C12H14O3 — CID 19766962

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid
SMILESO=C(O)COC1CCCc2ccccc21
InChIInChI=1S/C12H14O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,13,14)
InChIKeyBYFHZBLEBSOMPZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.17
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid

2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid (PubChem CID 19766962) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid
PubChem CID19766962
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid
SMILESO=C(O)COC1CCCc2ccccc21
InChIInChI=1S/C12H14O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,13,14)
InChIKeyBYFHZBLEBSOMPZ-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic 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-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid (CID 19766962) is 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid is O=C(O)COC1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid?
The InChIKey is BYFHZBLEBSOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,13,14).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid?
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid is sourced from PubChem (CID 19766962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).