2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol

C22H38O2 — CID 152764952

IUPAC2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol
SMILESCCC(C)(C)OCc1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H38O2/c1-10-20(4,5)17-13-16(15-24-22(8,9)12-3)14-18(19(17)23)21(6,7)11-2/h13-14,23H,10-12,15H2,1-9H3
InChIKeySZWXOJVABRROIT-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.47
Rot. Bonds8

About 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol

2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol (PubChem CID 152764952) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol.

Molecular Properties

Compound Name2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol
PubChem CID152764952
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol
SMILESCCC(C)(C)OCc1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H38O2/c1-10-20(4,5)17-13-16(15-24-22(8,9)12-3)14-18(19(17)23)21(6,7)11-2/h13-14,23H,10-12,15H2,1-9H3
InChIKeySZWXOJVABRROIT-UHFFFAOYSA-N
XLogP6.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 54117859
2-[[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methoxy]ethyl prop-2-enoate
CID 88811774
4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
CID 19003417
4-hydroxy-3,5-bis(2-methylbutan-2-yl)benzenesulfonic acid
CID 87316224
3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908
2-bromo-1-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethanone
CID 86631892
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphate;ethanolate;nickel
CID 158833007
2,6-ditert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]sulfanylbutan-2-ylsulfanyl]phenol
CID 143127523
2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol
CID 18406218
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
CID 159405265
methyl 3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]prop-2-enoate
CID 88844437
2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate
CID 54207072

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol?
The IUPAC name of 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol (CID 152764952) is 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol.
What is the SMILES notation for 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol?
The canonical SMILES for 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol is CCC(C)(C)OCc1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol?
The InChIKey is SZWXOJVABRROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-10-20(4,5)17-13-16(15-24-22(8,9)12-3)14-18(19(17)23)21(6,7)11-2/h13-14,23H,10-12,15H2,1-9H3.
What are the key properties of 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol?
2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol has a molecular weight of 334.54 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylbutan-2-yl)-4-(2-methylbutan-2-yloxymethyl)phenol is sourced from PubChem (CID 152764952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).