2-(2-hydroxyethoxy)ethoxycarbonyl benzoate

C12H14O6 — CID 174850057

IUPAC2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
SMILESO=C(OCCOCCO)OC(=O)c1ccccc1
InChIInChI=1S/C12H14O6/c13-6-7-16-8-9-17-12(15)18-11(14)10-4-2-1-3-5-10/h1-5,13H,6-9H2
InChIKeyUNENVNPWPBJNPC-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.99
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate

2-(2-hydroxyethoxy)ethoxycarbonyl benzoate (PubChem CID 174850057) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
PubChem CID174850057
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
SMILESO=C(OCCOCCO)OC(=O)c1ccccc1
InChIInChI=1S/C12H14O6/c13-6-7-16-8-9-17-12(15)18-11(14)10-4-2-1-3-5-10/h1-5,13H,6-9H2
InChIKeyUNENVNPWPBJNPC-UHFFFAOYSA-N
XLogP0.99
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;pentyl benzoate
CID 88992818
2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 174967065
2-(aminomethoxy)ethyl benzoate
CID 89228347
3-[3-(3-hydroxypropoxy)propoxy]propyl benzoate
CID 170190930
2-benzoyloxyethyl benzoate;ethene
CID 67969171
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
2-(2-hydroxyethoxy)ethyl 2-cyano-3,3-diphenylprop-2-enoate
CID 163457835
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-sulfanylbenzoate
CID 71446016

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate (CID 174850057) is 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate is O=C(OCCOCCO)OC(=O)c1ccccc1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate?
The InChIKey is UNENVNPWPBJNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c13-6-7-16-8-9-17-12(15)18-11(14)10-4-2-1-3-5-10/h1-5,13H,6-9H2.
What are the key properties of 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate?
2-(2-hydroxyethoxy)ethoxycarbonyl benzoate has a molecular weight of 254.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethoxycarbonyl benzoate is sourced from PubChem (CID 174850057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).