2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid

C16H20O6 — CID 71051520

IUPAC2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCCO2)cc(OC2CCCO2)c1
InChIInChI=1S/C16H20O6/c17-14(18)9-11-7-12(21-15-3-1-5-19-15)10-13(8-11)22-16-4-2-6-20-16/h7-8,10,15-16H,1-6,9H2,(H,17,18)
InChIKeyFXNCGPDIRGTNTR-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.34
Rot. Bonds6

About 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid

2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid (PubChem CID 71051520) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid
PubChem CID71051520
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(OC2CCCO2)cc(OC2CCCO2)c1
InChIInChI=1S/C16H20O6/c17-14(18)9-11-7-12(21-15-3-1-5-19-15)10-13(8-11)22-16-4-2-6-20-16/h7-8,10,15-16H,1-6,9H2,(H,17,18)
InChIKeyFXNCGPDIRGTNTR-UHFFFAOYSA-N
XLogP2.34
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid (CID 71051520) is 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid is O=C(O)Cc1cc(OC2CCCO2)cc(OC2CCCO2)c1.
What is the InChIKey of 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid?
The InChIKey is FXNCGPDIRGTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c17-14(18)9-11-7-12(21-15-3-1-5-19-15)10-13(8-11)22-16-4-2-6-20-16/h7-8,10,15-16H,1-6,9H2,(H,17,18).
What are the key properties of 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid?
2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 71051520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).