3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol

C14H22O2 — CID 79616533

IUPAC3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCOC(C)C(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22O2/c1-9-6-10(2)13(11(3)7-9)8-14(15)12(4)16-5/h6-7,12,14-15H,8H2,1-5H3
InChIKeyXEGFAGIMGLIQOW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds4

About 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol

3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 79616533) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID79616533
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCOC(C)C(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22O2/c1-9-6-10(2)13(11(3)7-9)8-14(15)12(4)16-5/h6-7,12,14-15H,8H2,1-5H3
InChIKeyXEGFAGIMGLIQOW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol (CID 79616533) is 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol is COC(C)C(O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is XEGFAGIMGLIQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-6-10(2)13(11(3)7-9)8-14(15)12(4)16-5/h6-7,12,14-15H,8H2,1-5H3.
What are the key properties of 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol?
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 79616533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).