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

C16H26O2 — CID 103028364

IUPAC4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26O2/c1-11-9-12(2)15(13(3)10-11)14(17)7-8-16(4,5)18-6/h9-10,14,17H,7-8H2,1-6H3
InChIKeyWEACZKJIAKRFCF-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.85
Rot. Bonds5

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

4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol (PubChem CID 103028364) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
PubChem CID103028364
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26O2/c1-11-9-12(2)15(13(3)10-11)14(17)7-8-16(4,5)18-6/h9-10,14,17H,7-8H2,1-6H3
InChIKeyWEACZKJIAKRFCF-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
CID 102975622
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
CID 103035234
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
CID 103028152
1-(3-chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035286
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol (CID 103028364) is 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol is COC(C)(C)CCC(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol?
The InChIKey is WEACZKJIAKRFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-11-9-12(2)15(13(3)10-11)14(17)7-8-16(4,5)18-6/h9-10,14,17H,7-8H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol?
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol is sourced from PubChem (CID 103028364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).