3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid

C10H10F2O5 — CID 170825291

IUPAC3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCOc1cc(F)c(C(O)C(O)C(=O)O)c(F)c1
InChIInChI=1S/C10H10F2O5/c1-17-4-2-5(11)7(6(12)3-4)8(13)9(14)10(15)16/h2-3,8-9,13-14H,1H3,(H,15,16)
InChIKeyWMEGAKNPKCBHSM-UHFFFAOYSA-N
MW248.18 g/mol
LogP0.45
Rot. Bonds4

About 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid

3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170825291) has the molecular formula C10H10F2O5 and a molecular weight of 248.18 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
PubChem CID170825291
Molecular FormulaC10H10F2O5
Molecular Weight248.18 g/mol
Exact Mass248.05
IUPAC Name3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCOc1cc(F)c(C(O)C(O)C(=O)O)c(F)c1
InChIInChI=1S/C10H10F2O5/c1-17-4-2-5(11)7(6(12)3-4)8(13)9(14)10(15)16/h2-3,8-9,13-14H,1H3,(H,15,16)
InChIKeyWMEGAKNPKCBHSM-UHFFFAOYSA-N
XLogP0.45
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099955
3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170824441
1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
CID 61100809
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61099781
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
6-[(2,6-difluoro-4-methoxyphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid
CID 60964343
3-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117393615
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823857
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid (CID 170825291) is 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid is COc1cc(F)c(C(O)C(O)C(=O)O)c(F)c1.
What is the InChIKey of 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is WMEGAKNPKCBHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O5/c1-17-4-2-5(11)7(6(12)3-4)8(13)9(14)10(15)16/h2-3,8-9,13-14H,1H3,(H,15,16).
What are the key properties of 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid?
3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 248.18 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170825291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).