3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid

C11H10O3 — CID 89077052

IUPAC3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=CC2C=CC=CC2C=C1O
InChIInChI=1S/C11H10O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-8,12H,(H,13,14)
InChIKeyLEFFDYNFSOJVLS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.81
Rot. Bonds1

About 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid

3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid (PubChem CID 89077052) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid
PubChem CID89077052
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=CC2C=CC=CC2C=C1O
InChIInChI=1S/C11H10O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-8,12H,(H,13,14)
InChIKeyLEFFDYNFSOJVLS-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid (CID 89077052) is 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid is O=C(O)C1=CC2C=CC=CC2C=C1O.
What is the InChIKey of 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid?
The InChIKey is LEFFDYNFSOJVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-8,12H,(H,13,14).
What are the key properties of 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid?
3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4a,8a-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 89077052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).