2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid

C15H20O3 — CID 54177123

IUPAC2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC(C)C1Cc2ccc(C(C)(O)C(=O)O)cc2C1
InChIInChI=1S/C15H20O3/c1-9(2)11-6-10-4-5-13(8-12(10)7-11)15(3,18)14(16)17/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyOZEFDEZSTVJHHT-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.35
Rot. Bonds3

About 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid

2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid (PubChem CID 54177123) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid
PubChem CID54177123
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESCC(C)C1Cc2ccc(C(C)(O)C(=O)O)cc2C1
InChIInChI=1S/C15H20O3/c1-9(2)11-6-10-4-5-13(8-12(10)7-11)15(3,18)14(16)17/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyOZEFDEZSTVJHHT-UHFFFAOYSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97700
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CID 1303
(S)-Atrolactic acid
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Flurenol-butyl
CID 40816
(+-)-Cicloprofen
CID 37589
Methyl 9-hydroxy-9H-fluorene-9-carboxylate
CID 267210
2-(2-Isopropyl-5-indanyl)propionic acid
CID 68769
alpha-Cyclopentylmandelic acid
CID 98283
2,3-dihydro-1H-indene-5-carboxylic acid
CID 232841
2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid
CID 618585
(R)-3,7-Dimethyl-5-indanecarboxylic acid
CID 10797750

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid (CID 54177123) is 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid is CC(C)C1Cc2ccc(C(C)(O)C(=O)O)cc2C1.
What is the InChIKey of 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The InChIKey is OZEFDEZSTVJHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(2)11-6-10-4-5-13(8-12(10)7-11)15(3,18)14(16)17/h4-5,8-9,11,18H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid?
2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid has a molecular weight of 248.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid is sourced from PubChem (CID 54177123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).