4-(2-hydroxyethoxycarbonyl)benzoate

C10H9O5- — CID 22062452

IUPAC4-(2-hydroxyethoxycarbonyl)benzoate
SMILESO=C([O-])c1ccc(C(=O)OCCO)cc1
InChIInChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)/p-1
InChIKeyBCBHDSLDGBIFIX-UHFFFAOYSA-M
MW209.18 g/mol
LogP-0.80
Rot. Bonds4

About 4-(2-hydroxyethoxycarbonyl)benzoate

4-(2-hydroxyethoxycarbonyl)benzoate (PubChem CID 22062452) has the molecular formula C10H9O5- and a molecular weight of 209.18 g/mol. Its IUPAC name is 4-(2-hydroxyethoxycarbonyl)benzoate.

Molecular Properties

Compound Name4-(2-hydroxyethoxycarbonyl)benzoate
PubChem CID22062452
Molecular FormulaC10H9O5-
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name4-(2-hydroxyethoxycarbonyl)benzoate
SMILESO=C([O-])c1ccc(C(=O)OCCO)cc1
InChIInChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)/p-1
InChIKeyBCBHDSLDGBIFIX-UHFFFAOYSA-M
XLogP-0.80
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxycarbonyl)benzoate?
The IUPAC name of 4-(2-hydroxyethoxycarbonyl)benzoate (CID 22062452) is 4-(2-hydroxyethoxycarbonyl)benzoate.
What is the SMILES notation for 4-(2-hydroxyethoxycarbonyl)benzoate?
The canonical SMILES for 4-(2-hydroxyethoxycarbonyl)benzoate is O=C([O-])c1ccc(C(=O)OCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethoxycarbonyl)benzoate?
The InChIKey is BCBHDSLDGBIFIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)/p-1.
What are the key properties of 4-(2-hydroxyethoxycarbonyl)benzoate?
4-(2-hydroxyethoxycarbonyl)benzoate has a molecular weight of 209.18 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxycarbonyl)benzoate is sourced from PubChem (CID 22062452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).