1-(2,4-ditert-butylphenoxy)pentan-2-ol

C19H32O2 — CID 63470439

IUPAC1-(2,4-ditert-butylphenoxy)pentan-2-ol
SMILESCCCC(O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H32O2/c1-8-9-15(20)13-21-17-11-10-14(18(2,3)4)12-16(17)19(5,6)7/h10-12,15,20H,8-9,13H2,1-7H3
InChIKeyXPFDBXWPFJFDAF-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.82
Rot. Bonds5

About 1-(2,4-ditert-butylphenoxy)pentan-2-ol

1-(2,4-ditert-butylphenoxy)pentan-2-ol (PubChem CID 63470439) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(2,4-ditert-butylphenoxy)pentan-2-ol.

Molecular Properties

Compound Name1-(2,4-ditert-butylphenoxy)pentan-2-ol
PubChem CID63470439
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(2,4-ditert-butylphenoxy)pentan-2-ol
SMILESCCCC(O)COc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H32O2/c1-8-9-15(20)13-21-17-11-10-14(18(2,3)4)12-16(17)19(5,6)7/h10-12,15,20H,8-9,13H2,1-7H3
InChIKeyXPFDBXWPFJFDAF-UHFFFAOYSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]-dimethylazanium
CID 91670409
1-(2,4-ditert-butylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 45283684
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine
CID 63473970
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-cyclopropyl-2-(2,4-ditert-butylphenoxy)ethanamine
CID 63914429
1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43343245
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 21490518

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-ditert-butylphenoxy)pentan-2-ol?
The IUPAC name of 1-(2,4-ditert-butylphenoxy)pentan-2-ol (CID 63470439) is 1-(2,4-ditert-butylphenoxy)pentan-2-ol.
What is the SMILES notation for 1-(2,4-ditert-butylphenoxy)pentan-2-ol?
The canonical SMILES for 1-(2,4-ditert-butylphenoxy)pentan-2-ol is CCCC(O)COc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 1-(2,4-ditert-butylphenoxy)pentan-2-ol?
The InChIKey is XPFDBXWPFJFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-8-9-15(20)13-21-17-11-10-14(18(2,3)4)12-16(17)19(5,6)7/h10-12,15,20H,8-9,13H2,1-7H3.
What are the key properties of 1-(2,4-ditert-butylphenoxy)pentan-2-ol?
1-(2,4-ditert-butylphenoxy)pentan-2-ol has a molecular weight of 292.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-ditert-butylphenoxy)pentan-2-ol is sourced from PubChem (CID 63470439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).