ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate

C15H20O3 — CID 79307919

IUPACethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCCc2ccccc21
InChIInChI=1S/C15H20O3/c1-3-18-14(16)15(2,17)13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,17H,3,6,8,10H2,1-2H3
InChIKeyCXWQAVWSPHLAFR-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.42
Rot. Bonds3

About ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate

ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate (PubChem CID 79307919) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
PubChem CID79307919
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCCc2ccccc21
InChIInChI=1S/C15H20O3/c1-3-18-14(16)15(2,17)13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,17H,3,6,8,10H2,1-2H3
InChIKeyCXWQAVWSPHLAFR-UHFFFAOYSA-N
XLogP2.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 71078532
ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 113306230
ethyl 2,2-dimethyl-3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 63250503
2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 83051375
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
CID 43726017
1-(6-methylundecan-6-yl)-1,2,3,4-tetrahydronaphthalene
CID 142140914
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylbutanoate
CID 58341708
ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
CID 79298576
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate (CID 79307919) is ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate is CCOC(=O)C(C)(O)C1CCCc2ccccc21.
What is the InChIKey of ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
The InChIKey is CXWQAVWSPHLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-18-14(16)15(2,17)13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13,17H,3,6,8,10H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate has a molecular weight of 248.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate is sourced from PubChem (CID 79307919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).