[4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate

C16H23NO6 — CID 135271656

IUPAC[4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate
SMILESCOc1cc(/C=N/CCOCCO)ccc1OC(=O)[C@@H](C)OC
InChIInChI=1S/C16H23NO6/c1-12(20-2)16(19)23-14-5-4-13(10-15(14)21-3)11-17-6-8-22-9-7-18/h4-5,10-12,18H,6-9H2,1-3H3/b17-11+/t12-/m1/s1
InChIKeyAGYLKRCAPGAQGK-PBSOMRJOSA-N
MW325.36 g/mol
LogP1.06
Rot. Bonds10

About [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate

[4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate (PubChem CID 135271656) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate.

Molecular Properties

Compound Name[4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate
PubChem CID135271656
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name[4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate
SMILESCOc1cc(/C=N/CCOCCO)ccc1OC(=O)[C@@H](C)OC
InChIInChI=1S/C16H23NO6/c1-12(20-2)16(19)23-14-5-4-13(10-15(14)21-3)11-17-6-8-22-9-7-18/h4-5,10-12,18H,6-9H2,1-3H3/b17-11+/t12-/m1/s1
InChIKeyAGYLKRCAPGAQGK-PBSOMRJOSA-N
XLogP1.06
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
CID 135271655
[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenyl] 2-methylpropanoate
CID 168590735
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 2-(4-methoxyphenoxy)propanoate
CID 46530364
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
2-[(3,4-dimethoxyphenyl)methylideneamino]ethanesulfonic acid
CID 170554767
[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 2,3-dihydroxypropanoate
CID 67782584
3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
CID 70090398
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
CID 9074141
[4-[(1E,6E)-7-[4-(3-amino-2-methylpropanoyl)oxy-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 3-amino-2-methylpropanoate
CID 159608553
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate?
The IUPAC name of [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate (CID 135271656) is [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate.
What is the SMILES notation for [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate?
The canonical SMILES for [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate is COc1cc(/C=N/CCOCCO)ccc1OC(=O)[C@@H](C)OC.
What is the InChIKey of [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate?
The InChIKey is AGYLKRCAPGAQGK-PBSOMRJOSA-N. The full InChI is InChI=1S/C16H23NO6/c1-12(20-2)16(19)23-14-5-4-13(10-15(14)21-3)11-17-6-8-22-9-7-18/h4-5,10-12,18H,6-9H2,1-3H3/b17-11+/t12-/m1/s1.
What are the key properties of [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate?
[4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate has a molecular weight of 325.36 g/mol, XLogP of 1.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-hydroxyethoxy)ethyliminomethyl]-2-methoxyphenyl] (2R)-2-methoxypropanoate is sourced from PubChem (CID 135271656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).