4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol

C32H50O — CID 144959528

IUPAC4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
SMILESCCC(C)c1cc(C(C)(C)C)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1
InChIInChI=1S/C32H50O/c1-15-20(2)21-16-23(29(3,4)5)27(24(17-21)30(6,7)8)22-18-25(31(9,10)11)28(33)26(19-22)32(12,13)14/h16-20,33H,15H2,1-14H3
InChIKeySERQBJCKPXRXNO-UHFFFAOYSA-N
MW450.75 g/mol
LogP9.76
Rot. Bonds3

About 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol

4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol (PubChem CID 144959528) has the molecular formula C32H50O and a molecular weight of 450.75 g/mol. Its IUPAC name is 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
PubChem CID144959528
Molecular FormulaC32H50O
Molecular Weight450.75 g/mol
Exact Mass450.39
IUPAC Name4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
SMILESCCC(C)c1cc(C(C)(C)C)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1
InChIInChI=1S/C32H50O/c1-15-20(2)21-16-23(29(3,4)5)27(24(17-21)30(6,7)8)22-18-25(31(9,10)11)28(33)26(19-22)32(12,13)14/h16-20,33H,15H2,1-14H3
InChIKeySERQBJCKPXRXNO-UHFFFAOYSA-N
XLogP9.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 59.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol with MolForge

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Related Compounds

5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143
5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide
CID 87743869
4-butan-2-yl-2-[[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]methyliminomethyl]-6-tert-butylphenol
CID 137091614
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
4-butan-2-yl-2-[[4-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol
CID 137035642
2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol
CID 21482215
2,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-ethylheptane-3,5-dione
CID 175451687
CID 162331984
CID 162331984

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol?
The IUPAC name of 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol (CID 144959528) is 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol.
What is the SMILES notation for 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol?
The canonical SMILES for 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol is CCC(C)c1cc(C(C)(C)C)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol?
The InChIKey is SERQBJCKPXRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O/c1-15-20(2)21-16-23(29(3,4)5)27(24(17-21)30(6,7)8)22-18-25(31(9,10)11)28(33)26(19-22)32(12,13)14/h16-20,33H,15H2,1-14H3.
What are the key properties of 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol?
4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol has a molecular weight of 450.75 g/mol, XLogP of 9.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol is sourced from PubChem (CID 144959528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).