1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene

C24H22O — CID 67815398

IUPAC1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
SMILESC=CCOc1ccc(-c2ccc(-c3ccc(CC=C)cc3)cc2)cc1
InChIInChI=1S/C24H22O/c1-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-18-4-2/h3-4,6-17H,1-2,5,18H2
InChIKeyBCXNRRWBFBXQLL-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.31
Rot. Bonds7

About 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene

1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene (PubChem CID 67815398) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
PubChem CID67815398
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
SMILESC=CCOc1ccc(-c2ccc(-c3ccc(CC=C)cc3)cc2)cc1
InChIInChI=1S/C24H22O/c1-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-18-4-2/h3-4,6-17H,1-2,5,18H2
InChIKeyBCXNRRWBFBXQLL-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518
1-ethynyl-4-(4-prop-2-enoxyphenyl)benzene
CID 160738690
oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene
CID 174931923
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346
4,7-bis(4-prop-2-enoxyphenyl)-2,1,3-benzothiadiazole
CID 130318322

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene?
The IUPAC name of 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene (CID 67815398) is 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene.
What is the SMILES notation for 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene?
The canonical SMILES for 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene is C=CCOc1ccc(-c2ccc(-c3ccc(CC=C)cc3)cc2)cc1.
What is the InChIKey of 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene?
The InChIKey is BCXNRRWBFBXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c1-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-18-4-2/h3-4,6-17H,1-2,5,18H2.
What are the key properties of 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene?
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene has a molecular weight of 326.44 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene is sourced from PubChem (CID 67815398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).