2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid

C11H10F2O5 — CID 171026626

IUPAC2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid
SMILESCc1c(C=O)cc(C(O)C(=O)O)cc1OC(F)F
InChIInChI=1S/C11H10F2O5/c1-5-7(4-14)2-6(9(15)10(16)17)3-8(5)18-11(12)13/h2-4,9,11,15H,1H3,(H,16,17)
InChIKeyVLLULWMKIOVEAY-UHFFFAOYSA-N
MW260.19 g/mol
LogP1.53
Rot. Bonds5

About 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid

2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid (PubChem CID 171026626) has the molecular formula C11H10F2O5 and a molecular weight of 260.19 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid
PubChem CID171026626
Molecular FormulaC11H10F2O5
Molecular Weight260.19 g/mol
Exact Mass260.05
IUPAC Name2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid
SMILESCc1c(C=O)cc(C(O)C(=O)O)cc1OC(F)F
InChIInChI=1S/C11H10F2O5/c1-5-7(4-14)2-6(9(15)10(16)17)3-8(5)18-11(12)13/h2-4,9,11,15H,1H3,(H,16,17)
InChIKeyVLLULWMKIOVEAY-UHFFFAOYSA-N
XLogP1.53
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-cyano-3-(difluoromethoxy)-5-formylphenyl]-2-hydroxyacetic acid
CID 171030881
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
2-[3-(difluoromethoxy)-5-methyl-4-nitrophenyl]-2-hydroxyacetic acid
CID 171028049
2-[2-cyano-4-(difluoromethoxy)-5-formylphenyl]-2-hydroxyacetic acid
CID 171030869
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
2-[3-(difluoromethoxy)-2-fluoro-5-formylphenyl]-2-hydroxyacetic acid
CID 171026323
2-[2-(difluoromethoxy)-5-fluoro-3-formylphenyl]-2-hydroxyacetic acid
CID 171026260
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
2-[2-cyano-6-(difluoromethoxy)-4-formylphenyl]-2-hydroxyacetic acid
CID 171030873
2-(difluoromethoxy)-4-formyl-6-methylbenzoic acid
CID 171032084
2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
CID 143058060
2-[2-cyano-6-(difluoromethoxy)-3-formylphenyl]-2-hydroxyacetic acid
CID 171014777

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid (CID 171026626) is 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid is Cc1c(C=O)cc(C(O)C(=O)O)cc1OC(F)F.
What is the InChIKey of 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid?
The InChIKey is VLLULWMKIOVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O5/c1-5-7(4-14)2-6(9(15)10(16)17)3-8(5)18-11(12)13/h2-4,9,11,15H,1H3,(H,16,17).
What are the key properties of 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid?
2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid has a molecular weight of 260.19 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 171026626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).