2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid

C15H20O3 — CID 83051375

IUPAC2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C15H20O3/c1-2-10-15(18,14(16)17)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,18H,2,5,7,9-10H2,1H3,(H,16,17)
InChIKeyJEOVNSHUXQZBIZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.72
Rot. Bonds4

About 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid

2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid (PubChem CID 83051375) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
PubChem CID83051375
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C15H20O3/c1-2-10-15(18,14(16)17)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,18H,2,5,7,9-10H2,1H3,(H,16,17)
InChIKeyJEOVNSHUXQZBIZ-UHFFFAOYSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
The IUPAC name of 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid (CID 83051375) is 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid.
What is the SMILES notation for 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
The canonical SMILES for 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid is CCCC(O)(C(=O)O)C1CCCc2ccccc21.
What is the InChIKey of 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
The InChIKey is JEOVNSHUXQZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-10-15(18,14(16)17)13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,18H,2,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid has a molecular weight of 248.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid is sourced from PubChem (CID 83051375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).