methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate

C13H18O4 — CID 21348092

IUPACmethyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
SMILESCCOc1ccc(C(C)(CO)C(=O)OC)cc1
InChIInChI=1S/C13H18O4/c1-4-17-11-7-5-10(6-8-11)13(2,9-14)12(15)16-3/h5-8,14H,4,9H2,1-3H3
InChIKeyDZJRBLXBYVACQW-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.51
Rot. Bonds5

About methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate

methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate (PubChem CID 21348092) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
PubChem CID21348092
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
SMILESCCOc1ccc(C(C)(CO)C(=O)OC)cc1
InChIInChI=1S/C13H18O4/c1-4-17-11-7-5-10(6-8-11)13(2,9-14)12(15)16-3/h5-8,14H,4,9H2,1-3H3
InChIKeyDZJRBLXBYVACQW-UHFFFAOYSA-N
XLogP1.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
CID 15881479
methyl 2-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-2-methylpropanoate
CID 125497316
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
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methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
CID 116927544
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate
CID 19797954
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate (CID 21348092) is methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate is CCOc1ccc(C(C)(CO)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate?
The InChIKey is DZJRBLXBYVACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-11-7-5-10(6-8-11)13(2,9-14)12(15)16-3/h5-8,14H,4,9H2,1-3H3.
What are the key properties of methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate?
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate has a molecular weight of 238.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 21348092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).