2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol

C17H26O3 — CID 170873937

IUPAC2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol
SMILESCC(C)(C)c1cc(C2OCCO2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O3/c1-16(2,3)11-9-12(15-19-7-8-20-15)14(18)13(10-11)17(4,5)6/h9-10,15,18H,7-8H2,1-6H3
InChIKeyIIXQOFGHSHECHG-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.03
Rot. Bonds1

About 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol

2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol (PubChem CID 170873937) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol
PubChem CID170873937
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol
SMILESCC(C)(C)c1cc(C2OCCO2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O3/c1-16(2,3)11-9-12(15-19-7-8-20-15)14(18)13(10-11)17(4,5)6/h9-10,15,18H,7-8H2,1-6H3
InChIKeyIIXQOFGHSHECHG-UHFFFAOYSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192551
2,4-ditert-butyl-6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenol;titanium(2+);dichloride
CID 158755314
4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol
CID 130760257
4-tert-butyl-2-[[[2-[[5-tert-butyl-3-(1,3-dioxan-2-yl)-2-hydroxyphenyl]methylamino]cyclohexyl]amino]methyl]-6-(1,3-dioxan-2-yl)phenol
CID 138465300
CID 135046337
CID 135046337
2,4-ditert-butyl-6-(9H-fluoren-9-yl)phenol;titanium;dihydrochloride
CID 87486951
CID 158661910
CID 158661910
(4S)-6,8-ditert-butyl-3,4-dihydro-2H-chromen-4-ol
CID 79014331
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
CID 83959269
trisodium;2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol;phosphate
CID 159744208
2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 102275565
2-[[2-[4-[5,5-bis[[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]methyl]-1,3-dioxan-2-yl]phenyl]-5-[[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]methyl]-1,3-dioxan-5-yl]methyliminomethyl]-4,6-ditert-butylphenol
CID 136910978

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol (CID 170873937) is 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol is CC(C)(C)c1cc(C2OCCO2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol?
The InChIKey is IIXQOFGHSHECHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-16(2,3)11-9-12(15-19-7-8-20-15)14(18)13(10-11)17(4,5)6/h9-10,15,18H,7-8H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol?
2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol has a molecular weight of 278.39 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol is sourced from PubChem (CID 170873937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).