2-ethoxycarbonyloxybenzoic acid

C10H10O5 — CID 26578

IUPAC2-ethoxycarbonyloxybenzoic acid
SMILESCCOC(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C10H10O5/c1-2-14-10(13)15-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCULQSUABDCVMTA-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.92
Rot. Bonds3

About 2-ethoxycarbonyloxybenzoic acid

2-ethoxycarbonyloxybenzoic acid (PubChem CID 26578) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-ethoxycarbonyloxybenzoic acid.

Molecular Properties

Compound Name2-ethoxycarbonyloxybenzoic acid
PubChem CID26578
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-ethoxycarbonyloxybenzoic acid
SMILESCCOC(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C10H10O5/c1-2-14-10(13)15-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCULQSUABDCVMTA-UHFFFAOYSA-N
XLogP1.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyloxybenzoic acid?
The IUPAC name of 2-ethoxycarbonyloxybenzoic acid (CID 26578) is 2-ethoxycarbonyloxybenzoic acid.
What is the SMILES notation for 2-ethoxycarbonyloxybenzoic acid?
The canonical SMILES for 2-ethoxycarbonyloxybenzoic acid is CCOC(=O)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-ethoxycarbonyloxybenzoic acid?
The InChIKey is CULQSUABDCVMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-14-10(13)15-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of 2-ethoxycarbonyloxybenzoic acid?
2-ethoxycarbonyloxybenzoic acid has a molecular weight of 210.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyloxybenzoic acid is sourced from PubChem (CID 26578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).