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

C19H20BrNO3 — CID 126194772

IUPACpropan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate
SMILESCc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c(Br)c1
InChIInChI=1S/C19H20BrNO3/c1-13(2)24-19(22)12-23-16-7-5-15(6-8-16)11-21-18-9-4-14(3)10-17(18)20/h4-11,13H,12H2,1-3H3/b21-11+
InChIKeyZXRGAILIGNGXNW-SRZZPIQSSA-N
MW390.28 g/mol
LogP4.84
Rot. Bonds6

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

propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate (PubChem CID 126194772) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate
PubChem CID126194772
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Namepropan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate
SMILESCc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c(Br)c1
InChIInChI=1S/C19H20BrNO3/c1-13(2)24-19(22)12-23-16-7-5-15(6-8-16)11-21-18-9-4-14(3)10-17(18)20/h4-11,13H,12H2,1-3H3/b21-11+
InChIKeyZXRGAILIGNGXNW-SRZZPIQSSA-N
XLogP4.84
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126194165
propan-2-yl 2-[4-[(4-iodo-3-methylphenyl)iminomethyl]phenoxy]acetate
CID 126194966
propan-2-yl 2-[4-[(3-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126195598
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-[4-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 3965917
2-[4-[(2,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220849
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-[(E)-[[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126193500
2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126384851
propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6148234

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate (CID 126194772) is propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate is Cc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c(Br)c1.
What is the InChIKey of propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate?
The InChIKey is ZXRGAILIGNGXNW-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-13(2)24-19(22)12-23-16-7-5-15(6-8-16)11-21-18-9-4-14(3)10-17(18)20/h4-11,13H,12H2,1-3H3/b21-11+.
What are the key properties of propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate?
propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate has a molecular weight of 390.28 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate is sourced from PubChem (CID 126194772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).