2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol

C18H19NO6 — CID 101005092

IUPAC2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(OCCO)c(OCCO)c2)cc1
InChIInChI=1S/C18H19NO6/c20-9-11-24-17-8-5-15(13-18(17)25-12-10-21)2-1-14-3-6-16(7-4-14)19(22)23/h1-8,13,20-21H,9-12H2/b2-1+
InChIKeyDUCIOUIGWSNQGS-OWOJBTEDSA-N
MW345.35 g/mol
LogP2.51
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol

2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol (PubChem CID 101005092) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
PubChem CID101005092
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(OCCO)c(OCCO)c2)cc1
InChIInChI=1S/C18H19NO6/c20-9-11-24-17-8-5-15(13-18(17)25-12-10-21)2-1-14-3-6-16(7-4-14)19(22)23/h1-8,13,20-21H,9-12H2/b2-1+
InChIKeyDUCIOUIGWSNQGS-OWOJBTEDSA-N
XLogP2.51
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
2-(2-fluoroethoxy)-1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 130408456
1,2,3,4,5-pentabromo-6-[[4-[(E)-2-(4-nitrophenyl)ethenyl]-2-[(2,3,4,5,6-pentabromophenyl)methoxy]phenoxy]methyl]benzene
CID 102193174
1,2-bis(methoxymethoxy)-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
CID 87641751
2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol
CID 67384790
(4-nitrophenyl) (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 2071705
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzaldehyde
CID 2293777
methyl 4-[(E)-2-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoate
CID 68981232
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol (CID 101005092) is 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol is O=[N+]([O-])c1ccc(/C=C/c2ccc(OCCO)c(OCCO)c2)cc1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol?
The InChIKey is DUCIOUIGWSNQGS-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H19NO6/c20-9-11-24-17-8-5-15(13-18(17)25-12-10-21)2-1-14-3-6-16(7-4-14)19(22)23/h1-8,13,20-21H,9-12H2/b2-1+.
What are the key properties of 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol?
2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol has a molecular weight of 345.35 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol is sourced from PubChem (CID 101005092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).