2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C24H34O — CID 159896343

IUPAC2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C24H34O/c1-22(2,3)16-24(7,8)19-12-13-21(25)20(15-19)17-10-9-11-18(14-17)23(4,5)6/h9-15,25H,16H2,1-8H3
InChIKeyNVJUVEFCINCDNH-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.07
Rot. Bonds3

About 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 159896343) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID159896343
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C24H34O/c1-22(2,3)16-24(7,8)19-12-13-21(25)20(15-19)17-10-9-11-18(14-17)23(4,5)6/h9-15,25H,16H2,1-8H3
InChIKeyNVJUVEFCINCDNH-UHFFFAOYSA-N
XLogP7.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 150514619
2-phenyl-4-(2,4,4-trimethylpentan-2-yl)phenol;2H-triazole
CID 155126723
2-[3-tert-butyl-5-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 150565958
2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 102323518
2-(3-tert-butylphenyl)-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 152763536
benzene-1,3-diol;4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 19086682
5-tert-butyl-3-(3-tert-butylphenyl)benzene-1,2-diol
CID 70227483
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
CID 169187760
4-tert-butyl-2-naphthalen-2-ylphenol
CID 118868504
1,3-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]benzene
CID 140720974
2-[3,6-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-4-tert-butyl-6-(3-fluorophenyl)phenol
CID 152763535
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 159896343) is 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(-c2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is NVJUVEFCINCDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-22(2,3)16-24(7,8)19-12-13-21(25)20(15-19)17-10-9-11-18(14-17)23(4,5)6/h9-15,25H,16H2,1-8H3.
What are the key properties of 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 338.54 g/mol, XLogP of 7.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 159896343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).