2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol

C17H28O2 — CID 106682520

IUPAC2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
SMILESCCCCC(CC)C(O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H28O2/c1-6-8-9-14(7-2)17(18)16-13(4)10-12(3)11-15(16)19-5/h10-11,14,17-18H,6-9H2,1-5H3
InChIKeyZMRMTIGQRIHIPT-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.56
Rot. Bonds7

About 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol (PubChem CID 106682520) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
PubChem CID106682520
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
SMILESCCCCC(CC)C(O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H28O2/c1-6-8-9-14(7-2)17(18)16-13(4)10-12(3)11-15(16)19-5/h10-11,14,17-18H,6-9H2,1-5H3
InChIKeyZMRMTIGQRIHIPT-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol
CID 105057112
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
CID 106680167
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol?
The IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol (CID 106682520) is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol?
The canonical SMILES for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol is CCCCC(CC)C(O)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol?
The InChIKey is ZMRMTIGQRIHIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-8-9-14(7-2)17(18)16-13(4)10-12(3)11-15(16)19-5/h10-11,14,17-18H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol?
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol is sourced from PubChem (CID 106682520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).