5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol

C16H26O2 — CID 158039757

IUPAC5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
SMILESCc1cc(C)c(OCC(O)CCC(C)C)c(C)c1
InChIInChI=1S/C16H26O2/c1-11(2)6-7-15(17)10-18-16-13(4)8-12(3)9-14(16)5/h8-9,11,15,17H,6-7,10H2,1-5H3
InChIKeyFKYRAHXJURKOAK-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.79
Rot. Bonds6

About 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol

5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol (PubChem CID 158039757) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol.

Molecular Properties

Compound Name5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
PubChem CID158039757
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
SMILESCc1cc(C)c(OCC(O)CCC(C)C)c(C)c1
InChIInChI=1S/C16H26O2/c1-11(2)6-7-15(17)10-18-16-13(4)8-12(3)9-14(16)5/h8-9,11,15,17H,6-7,10H2,1-5H3
InChIKeyFKYRAHXJURKOAK-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium
CID 786489
1-(3,5-dimethylpiperidin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 3415680
1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 71254072
1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 64821908
3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 61220683
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
CID 103366783
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 11971912
4-(2-hydroxybutoxy)-3,5-dimethylbenzoic acid
CID 60886659

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol?
The IUPAC name of 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol (CID 158039757) is 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol.
What is the SMILES notation for 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol?
The canonical SMILES for 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol is Cc1cc(C)c(OCC(O)CCC(C)C)c(C)c1.
What is the InChIKey of 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol?
The InChIKey is FKYRAHXJURKOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-11(2)6-7-15(17)10-18-16-13(4)8-12(3)9-14(16)5/h8-9,11,15,17H,6-7,10H2,1-5H3.
What are the key properties of 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol?
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol is sourced from PubChem (CID 158039757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).