2-(2-hydroxyethoxycarbonyl)benzoate

C10H9O5- — CID 7034609

IUPAC2-(2-hydroxyethoxycarbonyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)OCCO
InChIInChI=1S/C10H10O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)/p-1
InChIKeyNTINFTOOVNKGIU-UHFFFAOYSA-M
MW209.18 g/mol
LogP-0.80
Rot. Bonds4

About 2-(2-hydroxyethoxycarbonyl)benzoate

2-(2-hydroxyethoxycarbonyl)benzoate (PubChem CID 7034609) has the molecular formula C10H9O5- and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(2-hydroxyethoxycarbonyl)benzoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxycarbonyl)benzoate
PubChem CID7034609
Molecular FormulaC10H9O5-
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(2-hydroxyethoxycarbonyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)OCCO
InChIInChI=1S/C10H10O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)/p-1
InChIKeyNTINFTOOVNKGIU-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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Related Compounds

cadmium(2+);bis(2-[2-(2-hydroxyethoxy)ethoxycarbonyl]benzoate)
CID 101274297
2-(4-iodobutoxycarbonyl)benzoate
CID 71347814
2-heptoxycarbonylbenzoate
CID 122715476
2-undecoxycarbonylbenzoate
CID 18752402
azanium 2-(2-prop-2-enoyloxyethoxycarbonyl)benzoate
CID 172770687
2-butoxycarbonylbenzoate;butyl 2-hydroxyacetate
CID 23616323
2-hydroxyethyl 2-aminooxybenzoate
CID 21127308
2-O-(2-hydroxyethyl) 1-O-octyl benzene-1,2-dicarboxylate
CID 150225256
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
tetrakis(2-aminooxycarbonylbenzoate);zirconium(4+)
CID 175454491
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
potassium 2-(2,2-dimethylpropoxycarbonyl)benzoate
CID 131740285

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxycarbonyl)benzoate?
The IUPAC name of 2-(2-hydroxyethoxycarbonyl)benzoate (CID 7034609) is 2-(2-hydroxyethoxycarbonyl)benzoate.
What is the SMILES notation for 2-(2-hydroxyethoxycarbonyl)benzoate?
The canonical SMILES for 2-(2-hydroxyethoxycarbonyl)benzoate is O=C([O-])c1ccccc1C(=O)OCCO.
What is the InChIKey of 2-(2-hydroxyethoxycarbonyl)benzoate?
The InChIKey is NTINFTOOVNKGIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)/p-1.
What are the key properties of 2-(2-hydroxyethoxycarbonyl)benzoate?
2-(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 2-(2-hydroxyethoxycarbonyl)benzoate is sourced from PubChem (CID 7034609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).