2,6-bis(2-hydroxyethoxy)benzoic acid

C11H14O6 — CID 54256937

IUPAC2,6-bis(2-hydroxyethoxy)benzoic acid
SMILESO=C(O)c1c(OCCO)cccc1OCCO
InChIInChI=1S/C11H14O6/c12-4-6-16-8-2-1-3-9(17-7-5-13)10(8)11(14)15/h1-3,12-13H,4-7H2,(H,14,15)
InChIKeyRASPBQGMSSTOME-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.13
Rot. Bonds7

About 2,6-bis(2-hydroxyethoxy)benzoic acid

2,6-bis(2-hydroxyethoxy)benzoic acid (PubChem CID 54256937) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2,6-bis(2-hydroxyethoxy)benzoic acid.

Molecular Properties

Compound Name2,6-bis(2-hydroxyethoxy)benzoic acid
PubChem CID54256937
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name2,6-bis(2-hydroxyethoxy)benzoic acid
SMILESO=C(O)c1c(OCCO)cccc1OCCO
InChIInChI=1S/C11H14O6/c12-4-6-16-8-2-1-3-9(17-7-5-13)10(8)11(14)15/h1-3,12-13H,4-7H2,(H,14,15)
InChIKeyRASPBQGMSSTOME-UHFFFAOYSA-N
XLogP0.13
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hexadecoxy-6-(4-hydroxybutoxy)benzoic acid
CID 139706110
5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid
CID 23357659
2-chloro-6-(2-phenoxyethoxy)benzoic acid
CID 28604962
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
CID 10585223
2-[8-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
CID 21424545
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
3-[(2,3-dicarboxyphenoxy)methoxy]phthalic acid
CID 166559177
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-but-3-enoxy-6-fluorobenzoic acid
CID 79511653

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-hydroxyethoxy)benzoic acid?
The IUPAC name of 2,6-bis(2-hydroxyethoxy)benzoic acid (CID 54256937) is 2,6-bis(2-hydroxyethoxy)benzoic acid.
What is the SMILES notation for 2,6-bis(2-hydroxyethoxy)benzoic acid?
The canonical SMILES for 2,6-bis(2-hydroxyethoxy)benzoic acid is O=C(O)c1c(OCCO)cccc1OCCO.
What is the InChIKey of 2,6-bis(2-hydroxyethoxy)benzoic acid?
The InChIKey is RASPBQGMSSTOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c12-4-6-16-8-2-1-3-9(17-7-5-13)10(8)11(14)15/h1-3,12-13H,4-7H2,(H,14,15).
What are the key properties of 2,6-bis(2-hydroxyethoxy)benzoic acid?
2,6-bis(2-hydroxyethoxy)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-hydroxyethoxy)benzoic acid is sourced from PubChem (CID 54256937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).