methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate

C19H23BrN2O4 — CID 169386452

IUPACmethyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
SMILESCCOc1cc(CNNc2ccccc2)cc(Br)c1OC(C)C(=O)OC
InChIInChI=1S/C19H23BrN2O4/c1-4-25-17-11-14(12-21-22-15-8-6-5-7-9-15)10-16(20)18(17)26-13(2)19(23)24-3/h5-11,13,21-22H,4,12H2,1-3H3
InChIKeySYLOLPMIRCVYHD-UHFFFAOYSA-N
MW423.31 g/mol
LogP3.90
Rot. Bonds9

About methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate

methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate (PubChem CID 169386452) has the molecular formula C19H23BrN2O4 and a molecular weight of 423.31 g/mol. Its IUPAC name is methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
PubChem CID169386452
Molecular FormulaC19H23BrN2O4
Molecular Weight423.31 g/mol
Exact Mass422.08
IUPAC Namemethyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
SMILESCCOc1cc(CNNc2ccccc2)cc(Br)c1OC(C)C(=O)OC
InChIInChI=1S/C19H23BrN2O4/c1-4-25-17-11-14(12-21-22-15-8-6-5-7-9-15)10-16(20)18(17)26-13(2)19(23)24-3/h5-11,13,21-22H,4,12H2,1-3H3
InChIKeySYLOLPMIRCVYHD-UHFFFAOYSA-N
XLogP3.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
CID 169386451
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenyl] benzoate
CID 169386305
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
CID 169385803
(1R)-N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 2238336
propan-2-yl 2-[5-bromo-2-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetate
CID 169386474
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 17291995
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]propanamide
CID 43622339
1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385759
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate (CID 169386452) is methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate is CCOc1cc(CNNc2ccccc2)cc(Br)c1OC(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate?
The InChIKey is SYLOLPMIRCVYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4/c1-4-25-17-11-14(12-21-22-15-8-6-5-7-9-15)10-16(20)18(17)26-13(2)19(23)24-3/h5-11,13,21-22H,4,12H2,1-3H3.
What are the key properties of methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate?
methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate has a molecular weight of 423.31 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate is sourced from PubChem (CID 169386452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).