2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol

C18H26O4 — CID 23116198

IUPAC2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol
SMILESC=CCOc1cc(CCOCCO)c(CC)c(OCC=C)c1
InChIInChI=1S/C18H26O4/c1-4-9-21-16-13-15(7-11-20-12-8-19)17(6-3)18(14-16)22-10-5-2/h4-5,13-14,19H,1-2,6-12H2,3H3
InChIKeyRGEXSIHXXZKKJA-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.93
Rot. Bonds12

About 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol

2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol (PubChem CID 23116198) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol
PubChem CID23116198
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol
SMILESC=CCOc1cc(CCOCCO)c(CC)c(OCC=C)c1
InChIInChI=1S/C18H26O4/c1-4-9-21-16-13-15(7-11-20-12-8-19)17(6-3)18(14-16)22-10-5-2/h4-5,13-14,19H,1-2,6-12H2,3H3
InChIKeyRGEXSIHXXZKKJA-UHFFFAOYSA-N
XLogP2.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3',4,5'-Tetramethoxystilbene
CID 5354004
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol
CID 23872112
Longistyline C
CID 6446720
4-(3-Hydroxypropyl)-2,6-Dimethoxyphenol
CID 529893
Octoxynol-3
CID 448876
2,3,4,4'-Tetramethoxy-1,1'-biphenyl
CID 165441
(+)-Catechin tetramethyl ether
CID 182659
Varitriol
CID 636888
Canniprene
CID 53439651
Isoarundinin I
CID 11187204
5-(3-Hydroxypropyl)-2,3-dimethoxyphenol
CID 72942686
alpha-(1-(2,6-Dimethoxy-4-(2-propen-1-yl)phenoxy)ethyl)-3,4,5-trimethoxybenzenemethanol
CID 10477119

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol (CID 23116198) is 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol is C=CCOc1cc(CCOCCO)c(CC)c(OCC=C)c1.
What is the InChIKey of 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol?
The InChIKey is RGEXSIHXXZKKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-4-9-21-16-13-15(7-11-20-12-8-19)17(6-3)18(14-16)22-10-5-2/h4-5,13-14,19H,1-2,6-12H2,3H3.
What are the key properties of 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol?
2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol has a molecular weight of 306.40 g/mol, XLogP of 2.93, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol is sourced from PubChem (CID 23116198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).