2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid

C14H18O3 — CID 117340668

IUPAC2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
SMILESCc1cc(O)c(C(C)C(=O)O)c2c1CCCC2
InChIInChI=1S/C14H18O3/c1-8-7-12(15)13(9(2)14(16)17)11-6-4-3-5-10(8)11/h7,9,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyGFQAMZWGVSFYOG-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.77
Rot. Bonds2

About 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid

2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid (PubChem CID 117340668) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
PubChem CID117340668
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
SMILESCc1cc(O)c(C(C)C(=O)O)c2c1CCCC2
InChIInChI=1S/C14H18O3/c1-8-7-12(15)13(9(2)14(16)17)11-6-4-3-5-10(8)11/h7,9,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyGFQAMZWGVSFYOG-UHFFFAOYSA-N
XLogP2.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid (CID 117340668) is 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid is Cc1cc(O)c(C(C)C(=O)O)c2c1CCCC2.
What is the InChIKey of 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
The InChIKey is GFQAMZWGVSFYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-8-7-12(15)13(9(2)14(16)17)11-6-4-3-5-10(8)11/h7,9,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid?
2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 117340668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).