(2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid

C17H15Cl2NO4 — CID 126017625

IUPAC(2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
SMILESCOc1cc(/C=N/c2cccc(Cl)c2Cl)ccc1O[C@@H](C)C(=O)O
InChIInChI=1S/C17H15Cl2NO4/c1-10(17(21)22)24-14-7-6-11(8-15(14)23-2)9-20-13-5-3-4-12(18)16(13)19/h3-10H,1-2H3,(H,21,22)/b20-9+/t10-/m0/s1
InChIKeyFOAIFULYYARRSR-YPZZKDGISA-N
MW368.22 g/mol
LogP4.60
Rot. Bonds6

About (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid

(2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid (PubChem CID 126017625) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
PubChem CID126017625
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name(2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
SMILESCOc1cc(/C=N/c2cccc(Cl)c2Cl)ccc1O[C@@H](C)C(=O)O
InChIInChI=1S/C17H15Cl2NO4/c1-10(17(21)22)24-14-7-6-11(8-15(14)23-2)9-20-13-5-3-4-12(18)16(13)19/h3-10H,1-2H3,(H,21,22)/b20-9+/t10-/m0/s1
InChIKeyFOAIFULYYARRSR-YPZZKDGISA-N
XLogP4.60
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.60
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-[4-[(3-chlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126017797
(2S)-2-[4-[(2-ethoxyphenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126019087
(2S)-2-[2-methoxy-4-[(3-methylphenyl)iminomethyl]phenoxy]propanoic acid
CID 126025365
(2S)-2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126016677
(2S)-2-[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126015901
(2S)-2-[4-[(3-chloro-4-methoxycarbonylphenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126025109
(2S)-2-[4-(cyclohexyliminomethyl)-2-methoxyphenoxy]propanoic acid
CID 126021311
(2R)-2-[2-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126019714
[4-[[5-[(4-acetyloxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 1381563
[4-[(2-chlorophenyl)iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 7179994
(2R)-2-[2-methoxy-4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 41271108
(2S)-2-[4-[(E)-[(3,4-dimethylphenyl)carbamoylhydrazinylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126023268

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid?
The IUPAC name of (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid (CID 126017625) is (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid is COc1cc(/C=N/c2cccc(Cl)c2Cl)ccc1O[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid?
The InChIKey is FOAIFULYYARRSR-YPZZKDGISA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-10(17(21)22)24-14-7-6-11(8-15(14)23-2)9-20-13-5-3-4-12(18)16(13)19/h3-10H,1-2H3,(H,21,22)/b20-9+/t10-/m0/s1.
What are the key properties of (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid?
(2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid has a molecular weight of 368.22 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid is sourced from PubChem (CID 126017625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).