2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene

C11H16O4 — CID 118066872

IUPAC2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
SMILESCCOc1cc(OC)ccc1OCOC
InChIInChI=1S/C11H16O4/c1-4-14-11-7-9(13-3)5-6-10(11)15-8-12-2/h5-7H,4,8H2,1-3H3
InChIKeyXWEBXZIJYYYKBI-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.08
Rot. Bonds6

About 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene

2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene (PubChem CID 118066872) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene.

Molecular Properties

Compound Name2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
PubChem CID118066872
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
SMILESCCOc1cc(OC)ccc1OCOC
InChIInChI=1S/C11H16O4/c1-4-14-11-7-9(13-3)5-6-10(11)15-8-12-2/h5-7H,4,8H2,1-3H3
InChIKeyXWEBXZIJYYYKBI-UHFFFAOYSA-N
XLogP2.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
CID 175152816
4-ethyl-1,2-bis(methoxymethoxy)benzene
CID 59060180
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium
CID 4712225
[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium chloride
CID 23004770
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
N-[(2-ethoxy-4-methoxyphenyl)methyl]hydroxylamine
CID 117287000

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene?
The IUPAC name of 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene (CID 118066872) is 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene.
What is the SMILES notation for 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene?
The canonical SMILES for 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene is CCOc1cc(OC)ccc1OCOC.
What is the InChIKey of 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene?
The InChIKey is XWEBXZIJYYYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-14-11-7-9(13-3)5-6-10(11)15-8-12-2/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene?
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene has a molecular weight of 212.24 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene is sourced from PubChem (CID 118066872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).