1-ethoxy-4-(4-ethoxyphenyl)benzene

C16H18O2 — CID 617993

IUPAC1-ethoxy-4-(4-ethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C16H18O2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChIKeyWTLUUYXFCHWUJK-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.15
Rot. Bonds5

About 1-ethoxy-4-(4-ethoxyphenyl)benzene

1-ethoxy-4-(4-ethoxyphenyl)benzene (PubChem CID 617993) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-ethoxy-4-(4-ethoxyphenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(4-ethoxyphenyl)benzene
PubChem CID617993
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-ethoxy-4-(4-ethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C16H18O2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChIKeyWTLUUYXFCHWUJK-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-ethoxyphenyl)benzene?
The IUPAC name of 1-ethoxy-4-(4-ethoxyphenyl)benzene (CID 617993) is 1-ethoxy-4-(4-ethoxyphenyl)benzene.
What is the SMILES notation for 1-ethoxy-4-(4-ethoxyphenyl)benzene?
The canonical SMILES for 1-ethoxy-4-(4-ethoxyphenyl)benzene is CCOc1ccc(-c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-(4-ethoxyphenyl)benzene?
The InChIKey is WTLUUYXFCHWUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-ethoxyphenyl)benzene?
1-ethoxy-4-(4-ethoxyphenyl)benzene has a molecular weight of 242.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-ethoxyphenyl)benzene is sourced from PubChem (CID 617993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).