2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol

C17H28O3 — CID 116752665

IUPAC2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28O3/c1-6-17(7-2,19-8-3)16(18)14-9-11-15(12-10-14)20-13(4)5/h9-13,16,18H,6-8H2,1-5H3
InChIKeyYPERDUPFKLQYJM-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.10
Rot. Bonds8

About 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol

2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol (PubChem CID 116752665) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol
PubChem CID116752665
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28O3/c1-6-17(7-2,19-8-3)16(18)14-9-11-15(12-10-14)20-13(4)5/h9-13,16,18H,6-8H2,1-5H3
InChIKeyYPERDUPFKLQYJM-UHFFFAOYSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 116710279
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752542
2,2-difluoro-3-hydroxy-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 62397060
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(4-propan-2-yloxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65362952
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
2-ethoxy-2-ethyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 116752573
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol (CID 116752665) is 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol is CCOC(CC)(CC)C(O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol?
The InChIKey is YPERDUPFKLQYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-6-17(7-2,19-8-3)16(18)14-9-11-15(12-10-14)20-13(4)5/h9-13,16,18H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol?
2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol is sourced from PubChem (CID 116752665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).