2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol

C12H18O4 — CID 23651183

IUPAC2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
SMILESCCc1ccc(OCCO)cc1OCCO
InChIInChI=1S/C12H18O4/c1-2-10-3-4-11(15-7-5-13)9-12(10)16-8-6-14/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyMEKWQKSWJDIWFX-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.99
Rot. Bonds7

About 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol

2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol (PubChem CID 23651183) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
PubChem CID23651183
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
SMILESCCc1ccc(OCCO)cc1OCCO
InChIInChI=1S/C12H18O4/c1-2-10-3-4-11(15-7-5-13)9-12(10)16-8-6-14/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyMEKWQKSWJDIWFX-UHFFFAOYSA-N
XLogP0.99
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dipentoxyphenyl)methanol
CID 54794877
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol
CID 139687434
2-(3-ethoxy-4-ethylphenoxy)acetamide
CID 141024835
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 23136689
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
CID 162335780
CID 162335780
dipotassium;4-[2-[2-[2-[2-[2-[2-[2-[2-[4-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(4-sulfonatobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonate
CID 139335892

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol?
The IUPAC name of 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol (CID 23651183) is 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol.
What is the SMILES notation for 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol?
The canonical SMILES for 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol is CCc1ccc(OCCO)cc1OCCO.
What is the InChIKey of 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol?
The InChIKey is MEKWQKSWJDIWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-10-3-4-11(15-7-5-13)9-12(10)16-8-6-14/h3-4,9,13-14H,2,5-8H2,1H3.
What are the key properties of 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol?
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol has a molecular weight of 226.27 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol is sourced from PubChem (CID 23651183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).