2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid

C13H18O6 — CID 117428843

IUPAC2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(C(O)C(=O)O)c(OC(C)C)c1OC
InChIInChI=1S/C13H18O6/c1-7(2)19-11-8(10(14)13(15)16)5-6-9(17-3)12(11)18-4/h5-7,10,14H,1-4H3,(H,15,16)
InChIKeyBDIHDIXVJONGMB-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.61
Rot. Bonds6

About 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid

2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid (PubChem CID 117428843) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
PubChem CID117428843
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
SMILESCOc1ccc(C(O)C(=O)O)c(OC(C)C)c1OC
InChIInChI=1S/C13H18O6/c1-7(2)19-11-8(10(14)13(15)16)5-6-9(17-3)12(11)18-4/h5-7,10,14H,1-4H3,(H,15,16)
InChIKeyBDIHDIXVJONGMB-UHFFFAOYSA-N
XLogP1.61
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic 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

2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
1-(2,4-dimethoxy-3-methylphenyl)-1-hydroxy-3-methylbutan-2-one
CID 116835996
2-hydroxy-2-(4-hydroxy-2-methyl-3-propan-2-yloxyphenyl)acetic acid
CID 139621896
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-[hydroxy-(2,3,4-trimethoxyphenyl)methyl]butanoic acid
CID 62397627
2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
CID 117344707
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid (CID 117428843) is 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid is COc1ccc(C(O)C(=O)O)c(OC(C)C)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
The InChIKey is BDIHDIXVJONGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-7(2)19-11-8(10(14)13(15)16)5-6-9(17-3)12(11)18-4/h5-7,10,14H,1-4H3,(H,15,16).
What are the key properties of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid?
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid has a molecular weight of 270.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117428843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).