ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol

C22H34O6 — CID 145133787

IUPACethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
SMILESCCO.CCOc1ccc(CC)cc1OC.COc1ccccc1OCCO
InChIInChI=1S/C11H16O2.C9H12O3.C2H6O/c1-4-9-6-7-10(13-5-2)11(8-9)12-3;1-11-8-4-2-3-5-9(8)12-7-6-10;1-2-3/h6-8H,4-5H2,1-3H3;2-5,10H,6-7H2,1H3;3H,2H2,1H3
InChIKeyRATQOSOUUQNLIG-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.72
Rot. Bonds8

About ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol

ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol (PubChem CID 145133787) has the molecular formula C22H34O6 and a molecular weight of 394.51 g/mol. Its IUPAC name is ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol.

Molecular Properties

Compound Nameethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
PubChem CID145133787
Molecular FormulaC22H34O6
Molecular Weight394.51 g/mol
Exact Mass394.24
IUPAC Nameethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
SMILESCCO.CCOc1ccc(CC)cc1OC.COc1ccccc1OCCO
InChIInChI=1S/C11H16O2.C9H12O3.C2H6O/c1-4-9-6-7-10(13-5-2)11(8-9)12-3;1-11-8-4-2-3-5-9(8)12-7-6-10;1-2-3/h6-8H,4-5H2,1-3H3;2-5,10H,6-7H2,1H3;3H,2H2,1H3
InChIKeyRATQOSOUUQNLIG-UHFFFAOYSA-N
XLogP3.72
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
3-(4-ethyl-2-methoxyphenoxy)propanethioamide
CID 107664967
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
1-(3-ethylphenyl)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]guanidine;hydroiodide
CID 111066654
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 29228432
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218

Frequently Asked Questions

What is the IUPAC name of ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol?
The IUPAC name of ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol (CID 145133787) is ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol.
What is the SMILES notation for ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol?
The canonical SMILES for ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol is CCO.CCOc1ccc(CC)cc1OC.COc1ccccc1OCCO.
What is the InChIKey of ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol?
The InChIKey is RATQOSOUUQNLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C9H12O3.C2H6O/c1-4-9-6-7-10(13-5-2)11(8-9)12-3;1-11-8-4-2-3-5-9(8)12-7-6-10;1-2-3/h6-8H,4-5H2,1-3H3;2-5,10H,6-7H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol?
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol has a molecular weight of 394.51 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol is sourced from PubChem (CID 145133787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).