1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene

C26H28O — CID 149186227

IUPAC1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
SMILESCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O/c1-3-5-20-27-24-18-16-23(17-19-24)26(22-14-10-7-11-15-22)25(4-2)21-12-8-6-9-13-21/h6-19H,3-5,20H2,1-2H3/b26-25-
InChIKeyXBXRMFIVDFKIIF-QPLCGJKRSA-N
MW356.51 g/mol
LogP7.23
Rot. Bonds8

About 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene

1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene (PubChem CID 149186227) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
PubChem CID149186227
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
SMILESCCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28O/c1-3-5-20-27-24-18-16-23(17-19-24)26(22-14-10-7-11-15-22)25(4-2)21-12-8-6-9-13-21/h6-19H,3-5,20H2,1-2H3/b26-25-
InChIKeyXBXRMFIVDFKIIF-QPLCGJKRSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
1-(6-chlorohexoxy)-4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]benzene
CID 67653312
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 67686127
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 70452870
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene?
The IUPAC name of 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene (CID 149186227) is 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene.
What is the SMILES notation for 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene?
The canonical SMILES for 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene is CCCCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene?
The InChIKey is XBXRMFIVDFKIIF-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H28O/c1-3-5-20-27-24-18-16-23(17-19-24)26(22-14-10-7-11-15-22)25(4-2)21-12-8-6-9-13-21/h6-19H,3-5,20H2,1-2H3/b26-25-.
What are the key properties of 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene?
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene has a molecular weight of 356.51 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene is sourced from PubChem (CID 149186227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).