3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one

C16H24O3 — CID 103458373

IUPAC3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
SMILESCCCOc1ccccc1C(=O)C(O)C(CC)CC
InChIInChI=1S/C16H24O3/c1-4-11-19-14-10-8-7-9-13(14)16(18)15(17)12(5-2)6-3/h7-10,12,15,17H,4-6,11H2,1-3H3
InChIKeyUYPOVSGQCSPVOL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.46
Rot. Bonds8

About 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one

3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one (PubChem CID 103458373) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
PubChem CID103458373
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
SMILESCCCOc1ccccc1C(=O)C(O)C(CC)CC
InChIInChI=1S/C16H24O3/c1-4-11-19-14-10-8-7-9-13(14)16(18)15(17)12(5-2)6-3/h7-10,12,15,17H,4-6,11H2,1-3H3
InChIKeyUYPOVSGQCSPVOL-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
N-butan-2-yl-2-propoxybenzamide
CID 71581291
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659280
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-propoxy-N-propylbenzamide
CID 58831728
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one?
The IUPAC name of 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one (CID 103458373) is 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one?
The canonical SMILES for 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one is CCCOc1ccccc1C(=O)C(O)C(CC)CC.
What is the InChIKey of 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one?
The InChIKey is UYPOVSGQCSPVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-11-19-14-10-8-7-9-13(14)16(18)15(17)12(5-2)6-3/h7-10,12,15,17H,4-6,11H2,1-3H3.
What are the key properties of 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one?
3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one is sourced from PubChem (CID 103458373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).