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

C11H12O3 — CID 22337475

IUPAC5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCC2O
InChIInChI=1S/C11H12O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6,10,12H,1-3H2,(H,13,14)
InChIKeyLENZAQJEJGHFBT-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.75
Rot. Bonds1

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

5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 22337475) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID22337475
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCC2O
InChIInChI=1S/C11H12O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6,10,12H,1-3H2,(H,13,14)
InChIKeyLENZAQJEJGHFBT-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 22337475) is 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CCCC2O.
What is the InChIKey of 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is LENZAQJEJGHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6,10,12H,1-3H2,(H,13,14).
What are the key properties of 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 22337475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).