1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol

C15H24O3 — CID 60879729

IUPAC1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
SMILESCCC(O)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C15H24O3/c1-6-11(16)10-18-14-8-7-12(17-5)9-13(14)15(2,3)4/h7-9,11,16H,6,10H2,1-5H3
InChIKeyJVTJPBSATRBEBA-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.14
Rot. Bonds5

About 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol

1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol (PubChem CID 60879729) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
PubChem CID60879729
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
SMILESCCC(O)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C15H24O3/c1-6-11(16)10-18-14-8-7-12(17-5)9-13(14)15(2,3)4/h7-9,11,16H,6,10H2,1-5H3
InChIKeyJVTJPBSATRBEBA-UHFFFAOYSA-N
XLogP3.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(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-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244
2-[[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 39915376
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
CID 7998050
[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[(2R)-1-methoxypropan-2-yl]azanium
CID 2129327
[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 2532633
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
(2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108841

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
The IUPAC name of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol (CID 60879729) is 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol.
What is the SMILES notation for 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
The canonical SMILES for 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol is CCC(O)COc1ccc(OC)cc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
The InChIKey is JVTJPBSATRBEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-11(16)10-18-14-8-7-12(17-5)9-13(14)15(2,3)4/h7-9,11,16H,6,10H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol?
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol is sourced from PubChem (CID 60879729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).