4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid

C15H20O3 — CID 65297695

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(CC(O)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H20O3/c1-15(2,14(17)18)9-13(16)12-7-6-10-4-3-5-11(10)8-12/h6-8,13,16H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyBETBPUHVGZCBRY-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.71
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid

4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid (PubChem CID 65297695) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
PubChem CID65297695
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCC(C)(CC(O)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H20O3/c1-15(2,14(17)18)9-13(16)12-7-6-10-4-3-5-11(10)8-12/h6-8,13,16H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyBETBPUHVGZCBRY-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82121740
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-ol
CID 114190708
4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297591
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
sodium 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoate
CID 23703653
4-amino-4-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylbutanoic acid
CID 65297326
2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
CID 116945049

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid (CID 65297695) is 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid is CC(C)(CC(O)c1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid?
The InChIKey is BETBPUHVGZCBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2,14(17)18)9-13(16)12-7-6-10-4-3-5-11(10)8-12/h6-8,13,16H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid?
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid has a molecular weight of 248.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65297695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).