2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid

C10H12O5 — CID 22346233

IUPAC2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(OC)cc(C(O)C(=O)O)c1
InChIInChI=1S/C10H12O5/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9,11H,1-2H3,(H,12,13)
InChIKeyWVZWBFAZRSHDQA-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.82
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid

2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid (PubChem CID 22346233) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
PubChem CID22346233
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(OC)cc(C(O)C(=O)O)c1
InChIInChI=1S/C10H12O5/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9,11H,1-2H3,(H,12,13)
InChIKeyWVZWBFAZRSHDQA-UHFFFAOYSA-N
XLogP0.82
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-[3-methoxy-5-(3-oxopropyl)phenyl]acetic acid
CID 134657621
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
CID 19390355
2-hydroxy-2-(5-methoxy-2,3-dimethylphenyl)acetic acid
CID 119014767
methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754392
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid (CID 22346233) is 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid is COc1cc(OC)cc(C(O)C(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is WVZWBFAZRSHDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9,11H,1-2H3,(H,12,13).
What are the key properties of 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid?
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 22346233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).