(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid

C17H15F2NO4 — CID 126247832

IUPAC(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(/C=N/c2ccc(F)cc2F)c1O[C@H](C)C(=O)O
InChIInChI=1S/C17H15F2NO4/c1-10(17(21)22)24-16-11(4-3-5-15(16)23-2)9-20-14-7-6-12(18)8-13(14)19/h3-10H,1-2H3,(H,21,22)/b20-9+/t10-/m1/s1
InChIKeyLASFMLNUBXZAQA-KTMXNEEYSA-N
MW335.31 g/mol
LogP3.58
Rot. Bonds6

About (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid

(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid (PubChem CID 126247832) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
PubChem CID126247832
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(/C=N/c2ccc(F)cc2F)c1O[C@H](C)C(=O)O
InChIInChI=1S/C17H15F2NO4/c1-10(17(21)22)24-16-11(4-3-5-15(16)23-2)9-20-14-7-6-12(18)8-13(14)19/h3-10H,1-2H3,(H,21,22)/b20-9+/t10-/m1/s1
InChIKeyLASFMLNUBXZAQA-KTMXNEEYSA-N
XLogP3.58
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-methoxy-6-[(2-methoxyphenyl)iminomethyl]phenoxy]propanoic acid
CID 126243355
(2R)-2-[2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]propanoic acid
CID 126245097
(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid
CID 126251082
(2S)-2-[2-methoxy-6-[(3-methylphenyl)iminomethyl]phenoxy]propanoic acid
CID 126247853
(2S)-2-[2-[(3-bromophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126236940
5-[[2-[(1S)-1-carboxyethoxy]-3-methoxyphenyl]methylideneamino]-2-chlorobenzoic acid
CID 126238876
2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 3294839
(2R)-2-[2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-6-methoxyphenoxy]propanoic acid
CID 126246378
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
(2S)-2-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126239591
(2S)-2-[2-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]propanoic acid
CID 126238310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid (CID 126247832) is (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid is COc1cccc(/C=N/c2ccc(F)cc2F)c1O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid?
The InChIKey is LASFMLNUBXZAQA-KTMXNEEYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-10(17(21)22)24-16-11(4-3-5-15(16)23-2)9-20-14-7-6-12(18)8-13(14)19/h3-10H,1-2H3,(H,21,22)/b20-9+/t10-/m1/s1.
What are the key properties of (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid?
(2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid has a molecular weight of 335.31 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2,4-difluorophenyl)iminomethyl]-6-methoxyphenoxy]propanoic acid is sourced from PubChem (CID 126247832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).