ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate

C15H20O3 — CID 62393323

IUPACethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
SMILESCCOC(=O)C(CC)C1(O)Cc2ccccc2C1
InChIInChI=1S/C15H20O3/c1-3-13(14(16)18-4-2)15(17)9-11-7-5-6-8-12(11)10-15/h5-8,13,17H,3-4,9-10H2,1-2H3
InChIKeyUFCSAAYAYAPLSK-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.11
Rot. Bonds4

About ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate

ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate (PubChem CID 62393323) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
PubChem CID62393323
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
SMILESCCOC(=O)C(CC)C1(O)Cc2ccccc2C1
InChIInChI=1S/C15H20O3/c1-3-13(14(16)18-4-2)15(17)9-11-7-5-6-8-12(11)10-15/h5-8,13,17H,3-4,9-10H2,1-2H3
InChIKeyUFCSAAYAYAPLSK-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Hydroxy-alpha-phenylcyclopentylacetic acid
CID 91332
1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-(2-Isopropyl-5-indanyl)propionic acid
CID 68769
2-Indancarboxylic Acid
CID 575777
1-Indanacetic acid
CID 96501
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
Methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 3839612
2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
CID 5174955
Methyl 2-oxo-1-indanecarboxylate
CID 10888732
1H-Indene-5-acetic acid, 2,3-dihydro-alpha,2-dimethyl-
CID 3044361
methyl 1-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 14381314
2-Ethyl-5-indanacetic acid
CID 12627894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate?
The IUPAC name of ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate (CID 62393323) is ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate?
The canonical SMILES for ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate is CCOC(=O)C(CC)C1(O)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate?
The InChIKey is UFCSAAYAYAPLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-13(14(16)18-4-2)15(17)9-11-7-5-6-8-12(11)10-15/h5-8,13,17H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate?
ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate has a molecular weight of 248.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate is sourced from PubChem (CID 62393323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).