3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol

C15H24O2 — CID 82928186

IUPAC3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
SMILESCCC(CC)CC(O)c1cccc(COC)c1
InChIInChI=1S/C15H24O2/c1-4-12(5-2)10-15(16)14-8-6-7-13(9-14)11-17-3/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyXXFDHOFUJKZOLF-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds7

About 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol

3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol (PubChem CID 82928186) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
PubChem CID82928186
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
SMILESCCC(CC)CC(O)c1cccc(COC)c1
InChIInChI=1S/C15H24O2/c1-4-12(5-2)10-15(16)14-8-6-7-13(9-14)11-17-3/h6-9,12,15-16H,4-5,10-11H2,1-3H3
InChIKeyXXFDHOFUJKZOLF-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
2-(2-chloro-5-fluorophenyl)-1-[3-(methoxymethyl)phenyl]ethanol
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1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
1-(1-bromoethyl)-3-(methoxymethyl)benzene
CID 174626315
1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 79823661
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
CID 80605254
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 79827482

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol?
The IUPAC name of 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol (CID 82928186) is 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol?
The canonical SMILES for 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol is CCC(CC)CC(O)c1cccc(COC)c1.
What is the InChIKey of 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol?
The InChIKey is XXFDHOFUJKZOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-12(5-2)10-15(16)14-8-6-7-13(9-14)11-17-3/h6-9,12,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol?
3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 82928186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).