2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol

C23H30O — CID 54063316

IUPAC2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
SMILESCC(C)(C)c1cc(CC=Cc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30O/c1-22(2,3)19-15-18(16-20(21(19)24)23(4,5)6)14-10-13-17-11-8-7-9-12-17/h7-13,15-16,24H,14H2,1-6H3
InChIKeyMBGOPLYUYVRCMI-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.24
Rot. Bonds3

About 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol

2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol (PubChem CID 54063316) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
PubChem CID54063316
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
SMILESCC(C)(C)c1cc(CC=Cc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H30O/c1-22(2,3)19-15-18(16-20(21(19)24)23(4,5)6)14-10-13-17-11-8-7-9-12-17/h7-13,15-16,24H,14H2,1-6H3
InChIKeyMBGOPLYUYVRCMI-UHFFFAOYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
CID 54476049
4-(3-anthracen-1-ylprop-2-enyl)-2,6-ditert-butylphenol
CID 150408596
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
4-[[(benzylideneamino)-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]methyl]-2,6-ditert-butylphenol
CID 3530551
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
4-[2-(4-benzylphenyl)ethyl]-2,6-ditert-butylphenol
CID 149334289
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
4-[(benzhydrylideneamino)methyl]-2,6-ditert-butylphenol
CID 176907688
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 12564792
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
CID 59639128

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol (CID 54063316) is 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol is CC(C)(C)c1cc(CC=Cc2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol?
The InChIKey is MBGOPLYUYVRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-22(2,3)19-15-18(16-20(21(19)24)23(4,5)6)14-10-13-17-11-8-7-9-12-17/h7-13,15-16,24H,14H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol?
2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol has a molecular weight of 322.49 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol is sourced from PubChem (CID 54063316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).