1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen

C18H22N2O3 — CID 70564094

IUPAC1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
SMILESCCOc1ccc(-c2cc(OCC)ccc2OCC)cc1.N#N
InChIInChI=1S/C18H22O3.N2/c1-4-19-15-9-7-14(8-10-15)17-13-16(20-5-2)11-12-18(17)21-6-3;1-2/h7-13H,4-6H2,1-3H3;
InChIKeyBGKDGUUMYFPYLG-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.58
Rot. Bonds7

About 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen

1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen (PubChem CID 70564094) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen.

Molecular Properties

Compound Name1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
PubChem CID70564094
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
SMILESCCOc1ccc(-c2cc(OCC)ccc2OCC)cc1.N#N
InChIInChI=1S/C18H22O3.N2/c1-4-19-15-9-7-14(8-10-15)17-13-16(20-5-2)11-12-18(17)21-6-3;1-2/h7-13H,4-6H2,1-3H3;
InChIKeyBGKDGUUMYFPYLG-UHFFFAOYSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-ethoxyphenyl)-4-methoxyphenyl]methanol
CID 94272407
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
2,4-diethoxy-1-phenylbenzene
CID 132889855
bis(2,5-diethoxy-4-(4-ethoxyphenyl)benzenediazonium);sulfate
CID 87876029
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
(2,5-diethoxyphenyl)boronic acid
CID 45094210
2-[4-(4-bromophenyl)phenyl]-1,4-didecoxybenzene
CID 155925838
2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene
CID 173362856
(2,5-diethoxyphenyl)hydrazine
CID 119006370

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen?
The IUPAC name of 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen (CID 70564094) is 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen.
What is the SMILES notation for 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen?
The canonical SMILES for 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen is CCOc1ccc(-c2cc(OCC)ccc2OCC)cc1.N#N.
What is the InChIKey of 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen?
The InChIKey is BGKDGUUMYFPYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3.N2/c1-4-19-15-9-7-14(8-10-15)17-13-16(20-5-2)11-12-18(17)21-6-3;1-2/h7-13H,4-6H2,1-3H3;.
What are the key properties of 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen?
1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen has a molecular weight of 314.39 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen is sourced from PubChem (CID 70564094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).