3-(4-ethoxyphenyl)pentan-3-ol

C13H20O2 — CID 62788135

IUPAC3-(4-ethoxyphenyl)pentan-3-ol
SMILESCCOc1ccc(C(O)(CC)CC)cc1
InChIInChI=1S/C13H20O2/c1-4-13(14,5-2)11-7-9-12(10-8-11)15-6-3/h7-10,14H,4-6H2,1-3H3
InChIKeySKFCGLZWXZFYAL-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.09
Rot. Bonds5

About 3-(4-ethoxyphenyl)pentan-3-ol

3-(4-ethoxyphenyl)pentan-3-ol (PubChem CID 62788135) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)pentan-3-ol
PubChem CID62788135
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(4-ethoxyphenyl)pentan-3-ol
SMILESCCOc1ccc(C(O)(CC)CC)cc1
InChIInChI=1S/C13H20O2/c1-4-13(14,5-2)11-7-9-12(10-8-11)15-6-3/h7-10,14H,4-6H2,1-3H3
InChIKeySKFCGLZWXZFYAL-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride
CID 126477875
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
CID 3125347
(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
CID 775832
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)pentan-3-ol?
The IUPAC name of 3-(4-ethoxyphenyl)pentan-3-ol (CID 62788135) is 3-(4-ethoxyphenyl)pentan-3-ol.
What is the SMILES notation for 3-(4-ethoxyphenyl)pentan-3-ol?
The canonical SMILES for 3-(4-ethoxyphenyl)pentan-3-ol is CCOc1ccc(C(O)(CC)CC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)pentan-3-ol?
The InChIKey is SKFCGLZWXZFYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-13(14,5-2)11-7-9-12(10-8-11)15-6-3/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)pentan-3-ol?
3-(4-ethoxyphenyl)pentan-3-ol has a molecular weight of 208.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)pentan-3-ol is sourced from PubChem (CID 62788135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).