1-ethoxy-4-ethoxybenzene

C10H13O2- — CID 91392612

IUPAC1-ethoxy-4-ethoxybenzene
SMILESC[CH-]Oc1ccc(OCC)cc1
InChIInChI=1S/C10H13O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h3,5-8H,4H2,1-2H3/q-1
InChIKeyPBULAPOHEYBSCX-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.65
Rot. Bonds4

About 1-ethoxy-4-ethoxybenzene

1-ethoxy-4-ethoxybenzene (PubChem CID 91392612) has the molecular formula C10H13O2- and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-ethoxy-4-ethoxybenzene.

Molecular Properties

Compound Name1-ethoxy-4-ethoxybenzene
PubChem CID91392612
Molecular FormulaC10H13O2-
Molecular Weight165.21 g/mol
Exact Mass165.09
IUPAC Name1-ethoxy-4-ethoxybenzene
SMILESC[CH-]Oc1ccc(OCC)cc1
InChIInChI=1S/C10H13O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h3,5-8H,4H2,1-2H3/q-1
InChIKeyPBULAPOHEYBSCX-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
ethoxybenzene chloride
CID 21193593
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
2-(4-ethoxyphenoxy)ethylhydrazine
CID 94680175
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethoxybenzene?
The IUPAC name of 1-ethoxy-4-ethoxybenzene (CID 91392612) is 1-ethoxy-4-ethoxybenzene.
What is the SMILES notation for 1-ethoxy-4-ethoxybenzene?
The canonical SMILES for 1-ethoxy-4-ethoxybenzene is C[CH-]Oc1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-ethoxybenzene?
The InChIKey is PBULAPOHEYBSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h3,5-8H,4H2,1-2H3/q-1.
What are the key properties of 1-ethoxy-4-ethoxybenzene?
1-ethoxy-4-ethoxybenzene has a molecular weight of 165.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-ethoxybenzene is sourced from PubChem (CID 91392612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).