4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol

C25H26O — CID 177122959

IUPAC4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H26O/c1-4-24(20-8-6-5-7-9-20)25(22-14-16-23(26)17-15-22)21-12-10-19(11-13-21)18(2)3/h5-18,26H,4H2,1-3H3/b25-24-
InChIKeyHKWZXSAYTSKWSL-IZHYLOQSSA-N
MW342.48 g/mol
LogP6.88
Rot. Bonds5

About 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol

4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol (PubChem CID 177122959) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
PubChem CID177122959
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H26O/c1-4-24(20-8-6-5-7-9-20)25(22-14-16-23(26)17-15-22)21-12-10-19(11-13-21)18(2)3/h5-18,26H,4H2,1-3H3/b25-24-
InChIKeyHKWZXSAYTSKWSL-IZHYLOQSSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 167478772
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127048581
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol;hydrochloride
CID 67944530
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
CID 143870397
2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide
CID 67590855
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol?
The IUPAC name of 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol (CID 177122959) is 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol is CC/C(=C(/c1ccc(O)cc1)c1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol?
The InChIKey is HKWZXSAYTSKWSL-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H26O/c1-4-24(20-8-6-5-7-9-20)25(22-14-16-23(26)17-15-22)21-12-10-19(11-13-21)18(2)3/h5-18,26H,4H2,1-3H3/b25-24-.
What are the key properties of 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol?
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol has a molecular weight of 342.48 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol is sourced from PubChem (CID 177122959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).