2,6-ditert-butyl-4-(3-hydroxypentyl)phenol

C19H32O2 — CID 21395972

IUPAC2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
SMILESCCC(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32O2/c1-8-14(20)10-9-13-11-15(18(2,3)4)17(21)16(12-13)19(5,6)7/h11-12,14,20-21H,8-10H2,1-7H3
InChIKeyRCAVPMZKWOKDIT-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.69
Rot. Bonds4

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

2,6-ditert-butyl-4-(3-hydroxypentyl)phenol (PubChem CID 21395972) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
PubChem CID21395972
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
SMILESCCC(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H32O2/c1-8-14(20)10-9-13-11-15(18(2,3)4)17(21)16(12-13)19(5,6)7/h11-12,14,20-21H,8-10H2,1-7H3
InChIKeyRCAVPMZKWOKDIT-UHFFFAOYSA-N
XLogP4.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-7-(3,5-ditert-butyl-4-hydroxyphenyl)-3,5-dihydroxyheptanoic acid
CID 15042016
1,9-bis(3,5-ditert-butyl-4-hydroxyphenyl)-5,5-bis[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-hydroxybutanoyl]-3,7-dihydroxynonane-4,6-dione
CID 57126934
4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-ditert-butyl-4-(3-butylheptyl)phenol;2,6-ditert-butyl-4-[8-(3,5-ditert-butyl-4-hydroxyphenyl)octyl]phenol
CID 160518697
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
1-(3,5-ditert-butyl-4-hydroxyphenyl)-18-hydroxyicosan-1-one
CID 158795341
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-6-methylphenol;2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 160596622
3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentane-2,4-diol
CID 20566819

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol (CID 21395972) is 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol is CCC(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol?
The InChIKey is RCAVPMZKWOKDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-8-14(20)10-9-13-11-15(18(2,3)4)17(21)16(12-13)19(5,6)7/h11-12,14,20-21H,8-10H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol?
2,6-ditert-butyl-4-(3-hydroxypentyl)phenol has a molecular weight of 292.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(3-hydroxypentyl)phenol is sourced from PubChem (CID 21395972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).