2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid

C11H14O5 — CID 117325097

IUPAC2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(C)c1OC
InChIInChI=1S/C11H14O5/c1-6-4-7(9(12)11(13)14)5-8(15-2)10(6)16-3/h4-5,9,12H,1-3H3,(H,13,14)
InChIKeyYAODNEZJOSUWSG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.13
Rot. Bonds4

About 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid

2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117325097) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
PubChem CID117325097
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(C)c1OC
InChIInChI=1S/C11H14O5/c1-6-4-7(9(12)11(13)14)5-8(15-2)10(6)16-3/h4-5,9,12H,1-3H3,(H,13,14)
InChIKeyYAODNEZJOSUWSG-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

(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
2-(3-chloro-5-cyclopentyloxy-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117484437
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid (CID 117325097) is 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)cc(C)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is YAODNEZJOSUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6-4-7(9(12)11(13)14)5-8(15-2)10(6)16-3/h4-5,9,12H,1-3H3,(H,13,14).
What are the key properties of 2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid?
2-(3,4-dimethoxy-5-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-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117325097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).