ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid

C11H16O4 — CID 143238154

IUPACethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
SMILESCC.COc1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C9H10O4.C2H6/c1-13-7-4-2-6(3-5-7)8(10)9(11)12;1-2/h2-5,8,10H,1H3,(H,11,12);1-2H3
InChIKeyGYLOKJAEVTXDGO-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.84
Rot. Bonds3

About ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid

ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid (PubChem CID 143238154) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Nameethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
PubChem CID143238154
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
SMILESCC.COc1ccc(C(O)C(=O)O)cc1
InChIInChI=1S/C9H10O4.C2H6/c1-13-7-4-2-6(3-5-7)8(10)9(11)12;1-2/h2-5,8,10H,1H3,(H,11,12);1-2H3
InChIKeyGYLOKJAEVTXDGO-UHFFFAOYSA-N
XLogP1.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid (CID 143238154) is ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid is CC.COc1ccc(C(O)C(=O)O)cc1.
What is the InChIKey of ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid?
The InChIKey is GYLOKJAEVTXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.C2H6/c1-13-7-4-2-6(3-5-7)8(10)9(11)12;1-2/h2-5,8,10H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid?
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid has a molecular weight of 212.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 143238154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).