4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid

C14H18O5 — CID 43532303

IUPAC4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOCC2CCCO2)cc1
InChIInChI=1S/C14H18O5/c15-14(16)11-3-5-12(6-4-11)19-9-8-17-10-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,15,16)
InChIKeyHQSVXMKVIHSRQF-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.96
Rot. Bonds7

About 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid

4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid (PubChem CID 43532303) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
PubChem CID43532303
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOCC2CCCO2)cc1
InChIInChI=1S/C14H18O5/c15-14(16)11-3-5-12(6-4-11)19-9-8-17-10-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,15,16)
InChIKeyHQSVXMKVIHSRQF-UHFFFAOYSA-N
XLogP1.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(oxolan-2-ylmethylamino)hexoxy]benzoic acid
CID 4829898
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
4-[2-[4-(oxetan-2-ylmethoxy)phenyl]ethenyl]benzoic acid
CID 67413012
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
2-(4-cyanophenoxy)ethyl 4-(oxolan-2-ylmethoxy)benzoate
CID 46793890
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
2-[2-(3-bromophenoxy)ethoxymethyl]oxolane
CID 54970515

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid (CID 43532303) is 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid is O=C(O)c1ccc(OCCOCC2CCCO2)cc1.
What is the InChIKey of 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid?
The InChIKey is HQSVXMKVIHSRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c15-14(16)11-3-5-12(6-4-11)19-9-8-17-10-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,15,16).
What are the key properties of 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid?
4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid has a molecular weight of 266.29 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid is sourced from PubChem (CID 43532303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).