propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate

C18H19NO4 — CID 126194165

IUPACpropan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate
SMILESCC(C)OC(=O)COc1ccc(/C=N/c2ccccc2O)cc1
InChIInChI=1S/C18H19NO4/c1-13(2)23-18(21)12-22-15-9-7-14(8-10-15)11-19-16-5-3-4-6-17(16)20/h3-11,13,20H,12H2,1-2H3/b19-11+
InChIKeyVRRQTEULGMONGL-YBFXNURJSA-N
MW313.35 g/mol
LogP3.47
Rot. Bonds6

About propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate

propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate (PubChem CID 126194165) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate
PubChem CID126194165
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namepropan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate
SMILESCC(C)OC(=O)COc1ccc(/C=N/c2ccccc2O)cc1
InChIInChI=1S/C18H19NO4/c1-13(2)23-18(21)12-22-15-9-7-14(8-10-15)11-19-16-5-3-4-6-17(16)20/h3-11,13,20H,12H2,1-2H3/b19-11+
InChIKeyVRRQTEULGMONGL-YBFXNURJSA-N
XLogP3.47
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-[4-[(3-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126195598
propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate
CID 126194772
propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate
CID 126191295
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
propan-2-yl 2-phenoxyacetate
CID 11367560
propan-2-yl 2-[4-[(4-iodo-3-methylphenyl)iminomethyl]phenoxy]acetate
CID 126194966
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6148234
3-[4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 53395726
propan-2-yl 2-[4-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126193130
propan-2-yl 2-[4-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 3965917

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate (CID 126194165) is propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate is CC(C)OC(=O)COc1ccc(/C=N/c2ccccc2O)cc1.
What is the InChIKey of propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate?
The InChIKey is VRRQTEULGMONGL-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(2)23-18(21)12-22-15-9-7-14(8-10-15)11-19-16-5-3-4-6-17(16)20/h3-11,13,20H,12H2,1-2H3/b19-11+.
What are the key properties of propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate?
propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate has a molecular weight of 313.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate is sourced from PubChem (CID 126194165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).