2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid

C11H12F2O5 — CID 117409617

IUPAC2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(C(F)F)c1OC
InChIInChI=1S/C11H12F2O5/c1-17-7-4-5(8(14)11(15)16)3-6(10(12)13)9(7)18-2/h3-4,8,10,14H,1-2H3,(H,15,16)
InChIKeyDCZFEZSBDAKIAL-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.76
Rot. Bonds5

About 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid

2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid (PubChem CID 117409617) has the molecular formula C11H12F2O5 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
PubChem CID117409617
Molecular FormulaC11H12F2O5
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(C(F)F)c1OC
InChIInChI=1S/C11H12F2O5/c1-17-7-4-5(8(14)11(15)16)3-6(10(12)13)9(7)18-2/h3-4,8,10,14H,1-2H3,(H,15,16)
InChIKeyDCZFEZSBDAKIAL-UHFFFAOYSA-N
XLogP1.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-oxoacetic acid
CID 117404185
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352962
2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
CID 131574789

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid (CID 117409617) is 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)cc(C(F)F)c1OC.
What is the InChIKey of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The InChIKey is DCZFEZSBDAKIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O5/c1-17-7-4-5(8(14)11(15)16)3-6(10(12)13)9(7)18-2/h3-4,8,10,14H,1-2H3,(H,15,16).
What are the key properties of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid?
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid has a molecular weight of 262.21 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117409617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).