2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid

C20H20O7 — CID 118525283

IUPAC2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)C(c1ccccc1O)c1cc(OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C20H20O7/c21-17-4-2-1-3-15(17)19(20(22)23)16-7-12(24-8-13-9-25-13)5-6-18(16)27-11-14-10-26-14/h1-7,13-14,19,21H,8-11H2,(H,22,23)
InChIKeyNPLAPVZLJKTXHV-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.16
Rot. Bonds9

About 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid

2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid (PubChem CID 118525283) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid
PubChem CID118525283
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)C(c1ccccc1O)c1cc(OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C20H20O7/c21-17-4-2-1-3-15(17)19(20(22)23)16-7-12(24-8-13-9-25-13)5-6-18(16)27-11-14-10-26-14/h1-7,13-14,19,21H,8-11H2,(H,22,23)
InChIKeyNPLAPVZLJKTXHV-UHFFFAOYSA-N
XLogP2.16
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid (CID 118525283) is 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid is O=C(O)C(c1ccccc1O)c1cc(OCC2CO2)ccc1OCC1CO1.
What is the InChIKey of 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid?
The InChIKey is NPLAPVZLJKTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c21-17-4-2-1-3-15(17)19(20(22)23)16-7-12(24-8-13-9-25-13)5-6-18(16)27-11-14-10-26-14/h1-7,13-14,19,21H,8-11H2,(H,22,23).
What are the key properties of 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid?
2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid has a molecular weight of 372.37 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 118525283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).