4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C11H12O3 — CID 10679284

IUPAC4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2c(c1)CCCC2
InChIInChI=1S/C11H12O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h5-6,12H,1-4H2,(H,13,14)
InChIKeyJYXPHWQSADYEPO-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.97
Rot. Bonds1

About 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 10679284) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID10679284
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2c(c1)CCCC2
InChIInChI=1S/C11H12O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h5-6,12H,1-4H2,(H,13,14)
InChIKeyJYXPHWQSADYEPO-UHFFFAOYSA-N
XLogP1.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic 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 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 10679284) is 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1cc(O)c2c(c1)CCCC2.
What is the InChIKey of 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is JYXPHWQSADYEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h5-6,12H,1-4H2,(H,13,14).
What are the key properties of 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 10679284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).