2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol

C25H34O2 — CID 132573747

IUPAC2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol
SMILESC=CCC(c1ccc(OC)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H34O2/c1-9-10-20(17-11-13-19(27-8)14-12-17)18-15-21(24(2,3)4)23(26)22(16-18)25(5,6)7/h9,11-16,20,26H,1,10H2,2-8H3
InChIKeyRPOOZNPMPAITFH-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.70
Rot. Bonds5

About 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol

2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol (PubChem CID 132573747) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol
PubChem CID132573747
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol
SMILESC=CCC(c1ccc(OC)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H34O2/c1-9-10-20(17-11-13-19(27-8)14-12-17)18-15-21(24(2,3)4)23(26)22(16-18)25(5,6)7/h9,11-16,20,26H,1,10H2,2-8H3
InChIKeyRPOOZNPMPAITFH-UHFFFAOYSA-N
XLogP6.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
[4-[1-(4-methoxyphenyl)but-3-enyl]phenyl] 2,2-dimethylpropanoate
CID 12965724
3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 163288557
2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-methoxyphenyl)methyl]sulfanyl-(4-methoxyphenyl)methyl]phenol
CID 5141697
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
2,6-ditert-butyl-4-methoxyphenol
CID 10269
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
2,6-ditert-butyl-4-[cyclopentyl-(4-methoxyphenyl)methyl]phenol
CID 132820452
4,4-bis(4-methoxyphenyl)but-1-en-1-ol
CID 174788315
2,6-ditert-butyl-4-[[N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methoxyanilino]methyl]phenol
CID 15312102

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol (CID 132573747) is 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol is C=CCC(c1ccc(OC)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol?
The InChIKey is RPOOZNPMPAITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-9-10-20(17-11-13-19(27-8)14-12-17)18-15-21(24(2,3)4)23(26)22(16-18)25(5,6)7/h9,11-16,20,26H,1,10H2,2-8H3.
What are the key properties of 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol?
2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol has a molecular weight of 366.55 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol is sourced from PubChem (CID 132573747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).