2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid

C12H16O5 — CID 83224823

IUPAC2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
SMILESCCOc1ccccc1C(OCCO)C(=O)O
InChIInChI=1S/C12H16O5/c1-2-16-10-6-4-3-5-9(10)11(12(14)15)17-8-7-13/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyZKVQMALGDAJYOG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.22
Rot. Bonds7

About 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid

2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid (PubChem CID 83224823) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
PubChem CID83224823
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
SMILESCCOc1ccccc1C(OCCO)C(=O)O
InChIInChI=1S/C12H16O5/c1-2-16-10-6-4-3-5-9(10)11(12(14)15)17-8-7-13/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyZKVQMALGDAJYOG-UHFFFAOYSA-N
XLogP1.22
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
CID 62397820
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-(2-ethoxyphenyl)butanedioic acid
CID 112508431
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
1,5-dihydroxy-1,5-bis[2-(2-hydroxyethoxy)phenyl]-2,4-dimethylpentan-3-one
CID 175584858
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid (CID 83224823) is 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid is CCOc1ccccc1C(OCCO)C(=O)O.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid?
The InChIKey is ZKVQMALGDAJYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-2-16-10-6-4-3-5-9(10)11(12(14)15)17-8-7-13/h3-6,11,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid?
2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid has a molecular weight of 240.25 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid is sourced from PubChem (CID 83224823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).