1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene

C20H22O2 — CID 22082114

IUPAC1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
SMILESC=COCCc1ccc(-c2ccc(CCOC=C)cc2)cc1
InChIInChI=1S/C20H22O2/c1-3-21-15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-22-4-2/h3-12H,1-2,13-16H2
InChIKeyPGGIOFNONIFYFC-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.76
Rot. Bonds9

About 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene

1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene (PubChem CID 22082114) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
PubChem CID22082114
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
SMILESC=COCCc1ccc(-c2ccc(CCOC=C)cc2)cc1
InChIInChI=1S/C20H22O2/c1-3-21-15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-22-4-2/h3-12H,1-2,13-16H2
InChIKeyPGGIOFNONIFYFC-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
2,6-bis(2-ethenoxyethyl)naphthalene
CID 150795307
1-(2-ethenylperoxyethyl)-4-[4-(methoxymethyl)phenyl]benzene
CID 123577095
1-cyclohexyl-4-(2-ethenoxyethyl)benzene
CID 177370560
3-(2-ethenoxyethyl)thiophene
CID 70162385
1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene
CID 70521274
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
1-ethenoxy-4-(2-methoxyethyl)benzene
CID 66366359
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene?
The IUPAC name of 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene (CID 22082114) is 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene.
What is the SMILES notation for 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene?
The canonical SMILES for 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene is C=COCCc1ccc(-c2ccc(CCOC=C)cc2)cc1.
What is the InChIKey of 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene?
The InChIKey is PGGIOFNONIFYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-21-15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-22-4-2/h3-12H,1-2,13-16H2.
What are the key properties of 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene?
1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene has a molecular weight of 294.39 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene is sourced from PubChem (CID 22082114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).