2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol

C14H22O2 — CID 79360580

IUPAC2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(OCCC(C)(C)O)c(C)c1
InChIInChI=1S/C14H22O2/c1-10-8-11(2)13(12(3)9-10)16-7-6-14(4,5)15/h8-9,15H,6-7H2,1-5H3
InChIKeyQWJOCUHQSSXHFO-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds4

About 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol

2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol (PubChem CID 79360580) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
PubChem CID79360580
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(OCCC(C)(C)O)c(C)c1
InChIInChI=1S/C14H22O2/c1-10-8-11(2)13(12(3)9-10)16-7-6-14(4,5)15/h8-9,15H,6-7H2,1-5H3
InChIKeyQWJOCUHQSSXHFO-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-hydroxy-3-methylbutoxy)-3,5-dimethylbenzenecarbothioamide
CID 79355474
2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
CID 64809345
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
2,2-diethyl-4-(2,4,6-trimethylphenoxy)butanenitrile
CID 82138707
3,5-dibromo-4-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 107738170
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959162
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
3,5-dichloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355476
4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol
CID 57422597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol?
The IUPAC name of 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol (CID 79360580) is 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol is Cc1cc(C)c(OCCC(C)(C)O)c(C)c1.
What is the InChIKey of 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol?
The InChIKey is QWJOCUHQSSXHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-8-11(2)13(12(3)9-10)16-7-6-14(4,5)15/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol?
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol is sourced from PubChem (CID 79360580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).