2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid

C12H14O3 — CID 18770874

IUPAC2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)Cc1cc(O)cc2c1CCCC2
InChIInChI=1S/C12H14O3/c13-10-5-8-3-1-2-4-11(8)9(6-10)7-12(14)15/h5-6,13H,1-4,7H2,(H,14,15)
InChIKeySTDAONRCORIOPM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.90
Rot. Bonds2

About 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid

2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 18770874) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID18770874
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)Cc1cc(O)cc2c1CCCC2
InChIInChI=1S/C12H14O3/c13-10-5-8-3-1-2-4-11(8)9(6-10)7-12(14)15/h5-6,13H,1-4,7H2,(H,14,15)
InChIKeySTDAONRCORIOPM-UHFFFAOYSA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)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-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid (CID 18770874) is 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid is O=C(O)Cc1cc(O)cc2c1CCCC2.
What is the InChIKey of 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is STDAONRCORIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-5-8-3-1-2-4-11(8)9(6-10)7-12(14)15/h5-6,13H,1-4,7H2,(H,14,15).
What are the key properties of 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 18770874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).