7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C11H12O3 — CID 14541268

IUPAC7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C11H12O3/c12-10-4-3-7-1-2-8(11(13)14)5-9(7)6-10/h3-4,6,8,12H,1-2,5H2,(H,13,14)
InChIKeyDCMQTTORXXHHBL-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.58
Rot. Bonds1

About 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 14541268) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID14541268
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C11H12O3/c12-10-4-3-7-1-2-8(11(13)14)5-9(7)6-10/h3-4,6,8,12H,1-2,5H2,(H,13,14)
InChIKeyDCMQTTORXXHHBL-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-hydroxy-1,2,3,4-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 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 14541268) is 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is O=C(O)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is DCMQTTORXXHHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-4-3-7-1-2-8(11(13)14)5-9(7)6-10/h3-4,6,8,12H,1-2,5H2,(H,13,14).
What are the key properties of 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 14541268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).