2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol

C20H24O — CID 54476049

IUPAC2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
SMILESCc1cc(CC=Cc2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H24O/c1-15-13-17(19(21)18(14-15)20(2,3)4)12-8-11-16-9-6-5-7-10-16/h5-11,13-14,21H,12H2,1-4H3
InChIKeyXLQKTCBJHGDLFH-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.25
Rot. Bonds3

About 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol

2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol (PubChem CID 54476049) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
PubChem CID54476049
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
SMILESCc1cc(CC=Cc2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H24O/c1-15-13-17(19(21)18(14-15)20(2,3)4)12-8-11-16-9-6-5-7-10-16/h5-11,13-14,21H,12H2,1-4H3
InChIKeyXLQKTCBJHGDLFH-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
CID 54063316
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 15305963

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol (CID 54476049) is 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol is Cc1cc(CC=Cc2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol?
The InChIKey is XLQKTCBJHGDLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-15-13-17(19(21)18(14-15)20(2,3)4)12-8-11-16-9-6-5-7-10-16/h5-11,13-14,21H,12H2,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol?
2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol has a molecular weight of 280.41 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol is sourced from PubChem (CID 54476049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).