4-(4-methoxyphenoxy)-2-methylbutan-2-ol

C12H18O3 — CID 79361726

IUPAC4-(4-methoxyphenoxy)-2-methylbutan-2-ol
SMILESCOc1ccc(OCCC(C)(C)O)cc1
InChIInChI=1S/C12H18O3/c1-12(2,13)8-9-15-11-6-4-10(14-3)5-7-11/h4-7,13H,8-9H2,1-3H3
InChIKeyMGUFQSFOHKORDW-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.23
Rot. Bonds5

About 4-(4-methoxyphenoxy)-2-methylbutan-2-ol

4-(4-methoxyphenoxy)-2-methylbutan-2-ol (PubChem CID 79361726) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-methylbutan-2-ol
PubChem CID79361726
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-(4-methoxyphenoxy)-2-methylbutan-2-ol
SMILESCOc1ccc(OCCC(C)(C)O)cc1
InChIInChI=1S/C12H18O3/c1-12(2,13)8-9-15-11-6-4-10(14-3)5-7-11/h4-7,13H,8-9H2,1-3H3
InChIKeyMGUFQSFOHKORDW-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol
CID 59527538
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150034
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
CID 113253720
2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
CID 79360586

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-methoxyphenoxy)-2-methylbutan-2-ol (CID 79361726) is 4-(4-methoxyphenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-methylbutan-2-ol is COc1ccc(OCCC(C)(C)O)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-methylbutan-2-ol?
The InChIKey is MGUFQSFOHKORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(2,13)8-9-15-11-6-4-10(14-3)5-7-11/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 4-(4-methoxyphenoxy)-2-methylbutan-2-ol?
4-(4-methoxyphenoxy)-2-methylbutan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 79361726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).