4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol

C24H24O — CID 167478355

IUPAC4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol
SMILESCC/C(=C(/c1ccc(C)cc1)c1ccccc1C)c1ccc(O)cc1
InChIInChI=1S/C24H24O/c1-4-22(19-13-15-21(25)16-14-19)24(20-11-9-17(2)10-12-20)23-8-6-5-7-18(23)3/h5-16,25H,4H2,1-3H3/b24-22+
InChIKeyJKDVIJDFFAYKAC-ZNTNEXAZSA-N
MW328.46 g/mol
LogP6.38
Rot. Bonds4

About 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol

4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol (PubChem CID 167478355) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol
PubChem CID167478355
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol
SMILESCC/C(=C(/c1ccc(C)cc1)c1ccccc1C)c1ccc(O)cc1
InChIInChI=1S/C24H24O/c1-4-22(19-13-15-21(25)16-14-19)24(20-11-9-17(2)10-12-20)23-8-6-5-7-18(23)3/h5-16,25H,4H2,1-3H3/b24-22+
InChIKeyJKDVIJDFFAYKAC-ZNTNEXAZSA-N
XLogP6.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.38
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

4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenyl)but-1-enyl]phenol
CID 70452979
4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]-3-methylphenol
CID 3035644
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
CID 172690267
1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
CID 139051346
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
2-methylphenol;bis(4-methylphenol)
CID 160575641
potassium;1-[(Z)-1,2-diphenylbut-1-enyl]-4-methylbenzene;methyl(propyl)azanide
CID 155723292
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol?
The IUPAC name of 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol (CID 167478355) is 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol.
What is the SMILES notation for 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol?
The canonical SMILES for 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol is CC/C(=C(/c1ccc(C)cc1)c1ccccc1C)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol?
The InChIKey is JKDVIJDFFAYKAC-ZNTNEXAZSA-N. The full InChI is InChI=1S/C24H24O/c1-4-22(19-13-15-21(25)16-14-19)24(20-11-9-17(2)10-12-20)23-8-6-5-7-18(23)3/h5-16,25H,4H2,1-3H3/b24-22+.
What are the key properties of 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol?
4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol has a molecular weight of 328.46 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(2-methylphenyl)-1-(4-methylphenyl)but-1-en-2-yl]phenol is sourced from PubChem (CID 167478355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).