2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol

C16H26O3 — CID 116752360

IUPAC2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H26O3/c1-7-16(5,19-8-2)15(17)13-9-12(4)14(18-6)10-11(13)3/h9-10,15,17H,7-8H2,1-6H3
InChIKeyRKQJBXHSUJDRAZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.55
Rot. Bonds6

About 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol

2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol (PubChem CID 116752360) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol
PubChem CID116752360
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H26O3/c1-7-16(5,19-8-2)15(17)13-9-12(4)14(18-6)10-11(13)3/h9-10,15,17H,7-8H2,1-6H3
InChIKeyRKQJBXHSUJDRAZ-UHFFFAOYSA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol
CID 116810260
1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
CID 105032908
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 116752097
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 116712960
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752047

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol (CID 116752360) is 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol is CCOC(C)(CC)C(O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol?
The InChIKey is RKQJBXHSUJDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-7-16(5,19-8-2)15(17)13-9-12(4)14(18-6)10-11(13)3/h9-10,15,17H,7-8H2,1-6H3.
What are the key properties of 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol?
2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 116752360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).