2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol

C16H25NO5 — CID 156647380

IUPAC2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol
SMILESCOc1ccc(/C(C)=N/COCCOCCOCCO)cc1
InChIInChI=1S/C16H25NO5/c1-14(15-3-5-16(19-2)6-4-15)17-13-22-12-11-21-10-9-20-8-7-18/h3-6,18H,7-13H2,1-2H3/b17-14+
InChIKeySVDXCODKJYWYQE-SAPNQHFASA-N
MW311.38 g/mol
LogP1.50
Rot. Bonds12

About 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol (PubChem CID 156647380) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol
PubChem CID156647380
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol
SMILESCOc1ccc(/C(C)=N/COCCOCCOCCO)cc1
InChIInChI=1S/C16H25NO5/c1-14(15-3-5-16(19-2)6-4-15)17-13-22-12-11-21-10-9-20-8-7-18/h3-6,18H,7-13H2,1-2H3/b17-14+
InChIKeySVDXCODKJYWYQE-SAPNQHFASA-N
XLogP1.50
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
(E)-1-(4-methoxyphenyl)-N-(trimethylsilylmethyl)ethanimine
CID 134988572
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
CID 71428362
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]ethanol
CID 61417751

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol (CID 156647380) is 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol is COc1ccc(/C(C)=N/COCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol?
The InChIKey is SVDXCODKJYWYQE-SAPNQHFASA-N. The full InChI is InChI=1S/C16H25NO5/c1-14(15-3-5-16(19-2)6-4-15)17-13-22-12-11-21-10-9-20-8-7-18/h3-6,18H,7-13H2,1-2H3/b17-14+.
What are the key properties of 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol has a molecular weight of 311.38 g/mol, XLogP of 1.50, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(E)-1-(4-methoxyphenyl)ethylideneamino]methoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 156647380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).