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

C11H14O5 — CID 117324991

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

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

2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117324991) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID117324991
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(OC)c(C)c(C(O)C(=O)O)c1
InChIInChI=1S/C11H14O5/c1-6-8(10(12)11(13)14)4-7(15-2)5-9(6)16-3/h4-5,10,12H,1-3H3,(H,13,14)
InChIKeyVQXOVKISNXCBIK-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-hydroxy-2-(5-methoxy-2,3-dimethylphenyl)acetic acid
CID 119014767
(3,5-dimethoxy-2-methylphenyl)methanediol
CID 123413723
3-amino-3-(3,5-dimethoxy-2-methylphenyl)propanoic acid
CID 117350570
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(2,5-dimethoxy-3-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117468875
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
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-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid (CID 117324991) is 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid is COc1cc(OC)c(C)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is VQXOVKISNXCBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6-8(10(12)11(13)14)4-7(15-2)5-9(6)16-3/h4-5,10,12H,1-3H3,(H,13,14).
What are the key properties of 2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid?
2-(3,5-dimethoxy-2-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-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117324991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).