1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene

C22H26O2 — CID 10087514

IUPAC1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene
SMILESC=C(C)OCCc1ccc(-c2ccc(CCOC(=C)C)cc2)cc1
InChIInChI=1S/C22H26O2/c1-17(2)23-15-13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)14-16-24-18(3)4/h5-12H,1,3,13-16H2,2,4H3
InChIKeyCDPPSBKHURHNSN-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.54
Rot. Bonds9

About 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene

1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene (PubChem CID 10087514) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene
PubChem CID10087514
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene
SMILESC=C(C)OCCc1ccc(-c2ccc(CCOC(=C)C)cc2)cc1
InChIInChI=1S/C22H26O2/c1-17(2)23-15-13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)14-16-24-18(3)4/h5-12H,1,3,13-16H2,2,4H3
InChIKeyCDPPSBKHURHNSN-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-prop-1-en-2-yloxyethyl)benzene
CID 131977885
2-azulen-6-ylethyl acetate
CID 593065
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
CID 162070646
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
2-[4-[3-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenyl]phenyl]ethyl prop-2-enoate
CID 129059868
1-[4-(4-butylphenyl)phenyl]ethenamine
CID 166698710
1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
CID 22082114
2-(4-formylphenyl)ethyl 2-methylprop-2-enoate
CID 132521284
[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate
CID 155219793
1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene
CID 131994478

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene?
The IUPAC name of 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene (CID 10087514) is 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene.
What is the SMILES notation for 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene?
The canonical SMILES for 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene is C=C(C)OCCc1ccc(-c2ccc(CCOC(=C)C)cc2)cc1.
What is the InChIKey of 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene?
The InChIKey is CDPPSBKHURHNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-17(2)23-15-13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)14-16-24-18(3)4/h5-12H,1,3,13-16H2,2,4H3.
What are the key properties of 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene?
1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene has a molecular weight of 322.45 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-en-2-yloxyethyl)-4-[4-(2-prop-1-en-2-yloxyethyl)phenyl]benzene is sourced from PubChem (CID 10087514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).