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

C16H22O3 — CID 113306230

IUPACethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCC(C)c2ccccc21
InChIInChI=1S/C16H22O3/c1-4-19-15(17)16(3,18)14-10-9-11(2)12-7-5-6-8-13(12)14/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyHSROCIFJHDJHKB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.98
Rot. Bonds3

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

ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate (PubChem CID 113306230) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
PubChem CID113306230
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCC(C)c2ccccc21
InChIInChI=1S/C16H22O3/c1-4-19-15(17)16(3,18)14-10-9-11(2)12-7-5-6-8-13(12)14/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyHSROCIFJHDJHKB-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate (CID 113306230) is ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate is CCOC(=O)C(C)(O)C1CCC(C)c2ccccc21.
What is the InChIKey of ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
The InChIKey is HSROCIFJHDJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-19-15(17)16(3,18)14-10-9-11(2)12-7-5-6-8-13(12)14/h5-8,11,14,18H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate?
ethyl 2-hydroxy-2-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate has a molecular weight of 262.35 g/mol, XLogP of 2.98, 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-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate is sourced from PubChem (CID 113306230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).