diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate

C14H18O6 — CID 139661476

IUPACdiethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
SMILESCCOC(=O)C(Oc1ccccc1CO)C(=O)OCC
InChIInChI=1S/C14H18O6/c1-3-18-13(16)12(14(17)19-4-2)20-11-8-6-5-7-10(11)9-15/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyDLYJPXVMJCRMOL-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.05
Rot. Bonds7

About diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate

diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate (PubChem CID 139661476) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
PubChem CID139661476
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namediethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
SMILESCCOC(=O)C(Oc1ccccc1CO)C(=O)OCC
InChIInChI=1S/C14H18O6/c1-3-18-13(16)12(14(17)19-4-2)20-11-8-6-5-7-10(11)9-15/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyDLYJPXVMJCRMOL-UHFFFAOYSA-N
XLogP1.05
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate
CID 107711553
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
4-[2-(hydroxymethyl)phenoxy]pentan-2-one
CID 64697349
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
CID 63654138
ethyl (E)-2-[2-(hydroxymethyl)phenoxy]but-2-enoate
CID 15741893
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
diethyl 2-(2-methyl-3-nitrophenoxy)propanedioate
CID 174484705

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate?
The IUPAC name of diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate (CID 139661476) is diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate.
What is the SMILES notation for diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate?
The canonical SMILES for diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate is CCOC(=O)C(Oc1ccccc1CO)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate?
The InChIKey is DLYJPXVMJCRMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-3-18-13(16)12(14(17)19-4-2)20-11-8-6-5-7-10(11)9-15/h5-8,12,15H,3-4,9H2,1-2H3.
What are the key properties of diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate?
diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate has a molecular weight of 282.29 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate is sourced from PubChem (CID 139661476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).