3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one

C14H20O2 — CID 103458462

IUPAC3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one
SMILESCCC(CC)C(O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20O2/c1-4-11(5-2)13(15)14(16)12-8-6-10(3)7-9-12/h6-9,11,13,15H,4-5H2,1-3H3
InChIKeyQHRKLAPQIGXLTQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.97
Rot. Bonds5

About 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one

3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one (PubChem CID 103458462) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one
PubChem CID103458462
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one
SMILESCCC(CC)C(O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20O2/c1-4-11(5-2)13(15)14(16)12-8-6-10(3)7-9-12/h6-9,11,13,15H,4-5H2,1-3H3
InChIKeyQHRKLAPQIGXLTQ-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458340
(2R,3S)-2,3-dihydroxy-1-(4-methylphenyl)heptan-1-one
CID 134930916
CID 70455298
CID 70455298
3-ethyl-2-hydroxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 103458406
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
(2S)-2-(dimethylamino)-1-(4-methylphenyl)butan-1-one
CID 124518637
2-hydroxy-1-(4-methylphenyl)-2-methylsulfanylethanone
CID 130122073
diethyl 2,3-dihydroxybutanedioate;2-(4-methylbenzoyl)-3-(4-methylphenyl)-3-oxopropanoic acid
CID 175293907
2-butan-2-ylsulfinyl-1-(4-methylphenyl)propan-1-one
CID 64641066
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
N-[(2R,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 11053976

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one?
The IUPAC name of 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one (CID 103458462) is 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one?
The canonical SMILES for 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one is CCC(CC)C(O)C(=O)c1ccc(C)cc1.
What is the InChIKey of 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one?
The InChIKey is QHRKLAPQIGXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-11(5-2)13(15)14(16)12-8-6-10(3)7-9-12/h6-9,11,13,15H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one?
3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1-(4-methylphenyl)pentan-1-one is sourced from PubChem (CID 103458462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).