(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate

C18H22N2O5 — CID 91488477

IUPAC(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
SMILESCOc1cccc(COC(=O)C(C)(Cc2ccc(O)c(O)c2)NN)c1
InChIInChI=1S/C18H22N2O5/c1-18(20-19,10-12-6-7-15(21)16(22)9-12)17(23)25-11-13-4-3-5-14(8-13)24-2/h3-9,20-22H,10-11,19H2,1-2H3
InChIKeyBIGLHKGNWHGXBO-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.61
Rot. Bonds7

About (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate

(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate (PubChem CID 91488477) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
PubChem CID91488477
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
SMILESCOc1cccc(COC(=O)C(C)(Cc2ccc(O)c(O)c2)NN)c1
InChIInChI=1S/C18H22N2O5/c1-18(20-19,10-12-6-7-15(21)16(22)9-12)17(23)25-11-13-4-3-5-14(8-13)24-2/h3-9,20-22H,10-11,19H2,1-2H3
InChIKeyBIGLHKGNWHGXBO-UHFFFAOYSA-N
XLogP1.61
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate
CID 165116977
ethyl 3-(3,4-dihydroxyphenyl)-2-methyl-2-[[3-(nitrooxymethyl)phenoxy]carbonylamino]propanoate
CID 143521779
(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate
CID 79798508
dihydroxy(oxo)phosphanium;(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 165103444
methyl 2,2-diamino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
CID 141406892
(3-methoxyphenyl)methyl pentanoate
CID 78789338
(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
CID 43469136
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
3-(3,4-dihydroxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 112529616
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate?
The IUPAC name of (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate (CID 91488477) is (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate?
The canonical SMILES for (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate is COc1cccc(COC(=O)C(C)(Cc2ccc(O)c(O)c2)NN)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate?
The InChIKey is BIGLHKGNWHGXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(20-19,10-12-6-7-15(21)16(22)9-12)17(23)25-11-13-4-3-5-14(8-13)24-2/h3-9,20-22H,10-11,19H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate?
(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate has a molecular weight of 346.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate is sourced from PubChem (CID 91488477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).