2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid

C10H12O5 — CID 151085982

IUPAC2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid
SMILESO=C(O)C(O)(OCCO)c1ccccc1
InChIInChI=1S/C10H12O5/c11-6-7-15-10(14,9(12)13)8-4-2-1-3-5-8/h1-5,11,14H,6-7H2,(H,12,13)
InChIKeyMLCPOPVJIBBENM-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.07
Rot. Bonds5

About 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid

2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid (PubChem CID 151085982) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid
PubChem CID151085982
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid
SMILESO=C(O)C(O)(OCCO)c1ccccc1
InChIInChI=1S/C10H12O5/c11-6-7-15-10(14,9(12)13)8-4-2-1-3-5-8/h1-5,11,14H,6-7H2,(H,12,13)
InChIKeyMLCPOPVJIBBENM-UHFFFAOYSA-N
XLogP-0.07
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
CID 68744175
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione
CID 70832447
azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
CID 175336069
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid?
The IUPAC name of 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid (CID 151085982) is 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid?
The canonical SMILES for 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid is O=C(O)C(O)(OCCO)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid?
The InChIKey is MLCPOPVJIBBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c11-6-7-15-10(14,9(12)13)8-4-2-1-3-5-8/h1-5,11,14H,6-7H2,(H,12,13).
What are the key properties of 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid?
2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid has a molecular weight of 212.20 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid is sourced from PubChem (CID 151085982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).