(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid

C12H16O3 — CID 57059044

IUPAC(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
SMILESCCc1ccc([C@@H](O)C(=O)O)cc1CC
InChIInChI=1S/C12H16O3/c1-3-8-5-6-10(7-9(8)4-2)11(13)12(14)15/h5-7,11,13H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeySUIRHPQVGKVTDX-LLVKDONJSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds4

About (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid

(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid (PubChem CID 57059044) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
PubChem CID57059044
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
SMILESCCc1ccc([C@@H](O)C(=O)O)cc1CC
InChIInChI=1S/C12H16O3/c1-3-8-5-6-10(7-9(8)4-2)11(13)12(14)15/h5-7,11,13H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeySUIRHPQVGKVTDX-LLVKDONJSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-cyanoethyl)-4-ethylphenyl]-2-hydroxyacetic acid
CID 135741022
2-[4-(3-ethoxy-3-oxopropyl)-3-ethylphenyl]-2-hydroxyacetic acid
CID 134656949
2-hydroxy-2-[3-(hydroxymethyl)-4-(2-oxopropyl)phenyl]acetic acid
CID 134657390
1-(3,4-diethylphenyl)propan-1-ol
CID 115482676
2-[4-(3-bromo-2-oxopropyl)-3-ethoxyphenyl]-2-hydroxyacetic acid
CID 134656923
2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
CID 117302661
3-[2-(bromomethyl)-4-[carboxy(hydroxy)methyl]phenyl]propanoic acid
CID 134656260
2-[4-(bromomethyl)-3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656277
2-[3-(2-bromopropanoyl)-4-(hydroxymethyl)phenyl]-2-hydroxyacetic acid
CID 134657364
2-hydroxy-2-(3-propanoyl-4-sulfanylphenyl)acetic acid
CID 118844351
2-[3-(bromomethyl)-4-(1-bromo-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135740698
2-[3-(1-chloro-2-oxopropyl)-4-(hydroxymethyl)phenyl]-2-hydroxyacetic acid
CID 134657408

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid (CID 57059044) is (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid is CCc1ccc([C@@H](O)C(=O)O)cc1CC.
What is the InChIKey of (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid?
The InChIKey is SUIRHPQVGKVTDX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-8-5-6-10(7-9(8)4-2)11(13)12(14)15/h5-7,11,13H,3-4H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid?
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 57059044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).