2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid

C17H24O3 — CID 21474587

IUPAC2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(C)(O)C(=O)O)ccc21
InChIInChI=1S/C17H24O3/c1-15(2)8-9-16(3,4)13-10-11(6-7-12(13)15)17(5,20)14(18)19/h6-7,10,20H,8-9H2,1-5H3,(H,18,19)
InChIKeyGLUJAYCCRNSBCF-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.33
Rot. Bonds2

About 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid

2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid (PubChem CID 21474587) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
PubChem CID21474587
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(C)(O)C(=O)O)ccc21
InChIInChI=1S/C17H24O3/c1-15(2)8-9-16(3,4)13-10-11(6-7-12(13)15)17(5,20)14(18)19/h6-7,10,20H,8-9H2,1-5H3,(H,18,19)
InChIKeyGLUJAYCCRNSBCF-UHFFFAOYSA-N
XLogP3.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid (CID 21474587) is 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid is CC1(C)CCC(C)(C)c2cc(C(C)(O)C(=O)O)ccc21.
What is the InChIKey of 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
The InChIKey is GLUJAYCCRNSBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-15(2)8-9-16(3,4)13-10-11(6-7-12(13)15)17(5,20)14(18)19/h6-7,10,20H,8-9H2,1-5H3,(H,18,19).
What are the key properties of 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 21474587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).