2-(2-ethoxycarbonyloxyphenyl)acetic acid

C11H12O5 — CID 122517223

IUPAC2-(2-ethoxycarbonyloxyphenyl)acetic acid
SMILESCCOC(=O)Oc1ccccc1CC(=O)O
InChIInChI=1S/C11H12O5/c1-2-15-11(14)16-9-6-4-3-5-8(9)7-10(12)13/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyPSAPCPYBKIGNDV-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-ethoxycarbonyloxyphenyl)acetic acid

2-(2-ethoxycarbonyloxyphenyl)acetic acid (PubChem CID 122517223) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2-ethoxycarbonyloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonyloxyphenyl)acetic acid
PubChem CID122517223
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(2-ethoxycarbonyloxyphenyl)acetic acid
SMILESCCOC(=O)Oc1ccccc1CC(=O)O
InChIInChI=1S/C11H12O5/c1-2-15-11(14)16-9-6-4-3-5-8(9)7-10(12)13/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyPSAPCPYBKIGNDV-UHFFFAOYSA-N
XLogP1.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[2-(cyanomethyl)phenyl] ethyl carbonate
CID 165430803
ethyl 3-(2-ethoxycarbonyloxyphenyl)-2-methylpropanoate
CID 122517254
ethyl (2-heptylphenyl) carbonate
CID 67181360
[2-chloro-3-(2-ethoxycarbonyloxyphenyl)propyl] acetate
CID 10494485
carboxy (2-ethylphenyl) carbonate
CID 150563443
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
bis(2-propylphenyl) carbonate
CID 66781525
(2-ethylphenyl) methyl carbonate
CID 67179071
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
(2-butylphenyl) 2-phenylethyl carbonate
CID 118690309
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonyloxyphenyl)acetic acid?
The IUPAC name of 2-(2-ethoxycarbonyloxyphenyl)acetic acid (CID 122517223) is 2-(2-ethoxycarbonyloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-ethoxycarbonyloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-ethoxycarbonyloxyphenyl)acetic acid is CCOC(=O)Oc1ccccc1CC(=O)O.
What is the InChIKey of 2-(2-ethoxycarbonyloxyphenyl)acetic acid?
The InChIKey is PSAPCPYBKIGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-2-15-11(14)16-9-6-4-3-5-8(9)7-10(12)13/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-(2-ethoxycarbonyloxyphenyl)acetic acid?
2-(2-ethoxycarbonyloxyphenyl)acetic acid has a molecular weight of 224.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonyloxyphenyl)acetic acid is sourced from PubChem (CID 122517223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).