2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid

C11H14O5 — CID 23558595

IUPAC2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(OC)cc1C
InChIInChI=1S/C11H14O5/c1-6-4-9(16-3)7(5-8(6)15-2)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChIKeyPHOKQGCDEGIWNF-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.13
Rot. Bonds4

About 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid

2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid (PubChem CID 23558595) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
PubChem CID23558595
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(OC)cc1C
InChIInChI=1S/C11H14O5/c1-6-4-9(16-3)7(5-8(6)15-2)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChIKeyPHOKQGCDEGIWNF-UHFFFAOYSA-N
XLogP1.13
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
CID 117438166
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid (CID 23558595) is 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)c(OC)cc1C.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is PHOKQGCDEGIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6-4-9(16-3)7(5-8(6)15-2)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14).
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid?
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 226.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 23558595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).