2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid

C10H10O5 — CID 117094928

IUPAC2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC(=O)CO)cc1
InChIInChI=1S/C10H10O5/c11-6-10(14)15-8-3-1-7(2-4-8)5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyFLBSZYBSSOFVPN-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.21
Rot. Bonds4

About 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid

2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid (PubChem CID 117094928) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid
PubChem CID117094928
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC(=O)CO)cc1
InChIInChI=1S/C10H10O5/c11-6-10(14)15-8-3-1-7(2-4-8)5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyFLBSZYBSSOFVPN-UHFFFAOYSA-N
XLogP0.21
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
2-[4-[bis(2-chloroethyl)carbamoyloxy]phenyl]acetic acid
CID 21271939
2-[4-(trideuteriomethoxy)phenyl]acetic acid
CID 177182175
2-[4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]acetic acid
CID 170988374
phenyl 2-phenylacetate;zinc
CID 70522084
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid (CID 117094928) is 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid is O=C(O)Cc1ccc(OC(=O)CO)cc1.
What is the InChIKey of 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid?
The InChIKey is FLBSZYBSSOFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c11-6-10(14)15-8-3-1-7(2-4-8)5-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid?
2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid has a molecular weight of 210.18 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyacetyl)oxyphenyl]acetic acid is sourced from PubChem (CID 117094928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).