2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid

C14H16O3 — CID 105490846

IUPAC2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1=CCCc2cc(O)ccc21
InChIInChI=1S/C14H16O3/c1-14(2,13(16)17)12-5-3-4-9-8-10(15)6-7-11(9)12/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyZLHQODQIAMDQLK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.83
Rot. Bonds2

About 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid

2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid (PubChem CID 105490846) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid
PubChem CID105490846
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1=CCCc2cc(O)ccc21
InChIInChI=1S/C14H16O3/c1-14(2,13(16)17)12-5-3-4-9-8-10(15)6-7-11(9)12/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyZLHQODQIAMDQLK-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid (CID 105490846) is 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1=CCCc2cc(O)ccc21.
What is the InChIKey of 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid?
The InChIKey is ZLHQODQIAMDQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-14(2,13(16)17)12-5-3-4-9-8-10(15)6-7-11(9)12/h5-8,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid?
2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-3,4-dihydronaphthalen-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105490846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).