6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol

C17H28O2 — CID 106802628

IUPAC6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H28O2/c1-6-14(18)8-7-11-19-16-12-13(2)9-10-15(16)17(3,4)5/h9-10,12,14,18H,6-8,11H2,1-5H3
InChIKeyGLGOBOMQZVUOCU-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.22
Rot. Bonds6

About 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol

6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol (PubChem CID 106802628) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol.

Molecular Properties

Compound Name6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
PubChem CID106802628
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H28O2/c1-6-14(18)8-7-11-19-16-12-13(2)9-10-15(16)17(3,4)5/h9-10,12,14,18H,6-8,11H2,1-5H3
InChIKeyGLGOBOMQZVUOCU-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
4-(2-tert-butyl-5-methylphenoxy)butanethioamide
CID 29013024
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64811237
5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
CID 63492667
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butanoic acid
CID 63039632
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2300142
2-azaniumylethyl-[3-(2-tert-butyl-5-methylphenoxy)propyl]azanium
CID 2299817
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene
CID 66222531
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol?
The IUPAC name of 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol (CID 106802628) is 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol.
What is the SMILES notation for 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol?
The canonical SMILES for 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol is CCC(O)CCCOc1cc(C)ccc1C(C)(C)C.
What is the InChIKey of 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol?
The InChIKey is GLGOBOMQZVUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-14(18)8-7-11-19-16-12-13(2)9-10-15(16)17(3,4)5/h9-10,12,14,18H,6-8,11H2,1-5H3.
What are the key properties of 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol?
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol is sourced from PubChem (CID 106802628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).