2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid

C12H16O4 — CID 103377595

IUPAC2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid
SMILESCc1ccc(C)c(C(OCCO)C(=O)O)c1
InChIInChI=1S/C12H16O4/c1-8-3-4-9(2)10(7-8)11(12(14)15)16-6-5-13/h3-4,7,11,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyPZMZRPPXRQBYRA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.44
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid

2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid (PubChem CID 103377595) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid
PubChem CID103377595
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid
SMILESCc1ccc(C)c(C(OCCO)C(=O)O)c1
InChIInChI=1S/C12H16O4/c1-8-3-4-9(2)10(7-8)11(12(14)15)16-6-5-13/h3-4,7,11,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyPZMZRPPXRQBYRA-UHFFFAOYSA-N
XLogP1.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 103377667
2-(3-hydroxypropoxy)-2-(2,4,5-trimethylphenyl)acetic acid
CID 114078427
1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
CID 59492308
2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 83224823
(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
CID 97190981
2-(2,5-dimethylphenyl)-3-oxopropanoic acid
CID 22600118
1,4-dimethyl-2-(1-propoxyethyl)benzene
CID 57176730
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
ethyl 2-(2,5-dimethylphenyl)-3-hydroxypropanoate
CID 45097761
2-(2,6-dimethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224254

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid (CID 103377595) is 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid is Cc1ccc(C)c(C(OCCO)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid?
The InChIKey is PZMZRPPXRQBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8-3-4-9(2)10(7-8)11(12(14)15)16-6-5-13/h3-4,7,11,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid?
2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid is sourced from PubChem (CID 103377595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).