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

C15H24O2 — CID 116710908

IUPAC3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
SMILESCCC(OC)C(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O2/c1-6-15(17-5)14(16)9-13-11(3)7-10(2)8-12(13)4/h7-8,14-16H,6,9H2,1-5H3
InChIKeyPWHAQLGLXYZPQN-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.94
Rot. Bonds5

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

3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol (PubChem CID 116710908) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
PubChem CID116710908
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
SMILESCCC(OC)C(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O2/c1-6-15(17-5)14(16)9-13-11(3)7-10(2)8-12(13)4/h7-8,14-16H,6,9H2,1-5H3
InChIKeyPWHAQLGLXYZPQN-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
CID 116710695
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
3-methoxy-1-(4-methylphenyl)pentan-2-ol
CID 116710820
1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 116712644
2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene
CID 146004844
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-(4-iodophenyl)-3-methoxypentan-2-ol
CID 116710944
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66039335

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol?
The IUPAC name of 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol (CID 116710908) is 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol?
The canonical SMILES for 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol is CCC(OC)C(O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol?
The InChIKey is PWHAQLGLXYZPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-15(17-5)14(16)9-13-11(3)7-10(2)8-12(13)4/h7-8,14-16H,6,9H2,1-5H3.
What are the key properties of 3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol?
3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 2.94, 5 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)pentan-2-ol is sourced from PubChem (CID 116710908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).