1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one

C15H22O3 — CID 103458596

IUPAC1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
SMILESCCOc1ccccc1C(=O)C(O)C(CC)CC
InChIInChI=1S/C15H22O3/c1-4-11(5-2)14(16)15(17)12-9-7-8-10-13(12)18-6-3/h7-11,14,16H,4-6H2,1-3H3
InChIKeyKUBCWMPMAPQNAK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.07
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one

1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one (PubChem CID 103458596) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
PubChem CID103458596
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
SMILESCCOc1ccccc1C(=O)C(O)C(CC)CC
InChIInChI=1S/C15H22O3/c1-4-11(5-2)14(16)15(17)12-9-7-8-10-13(12)18-6-3/h7-11,14,16H,4-6H2,1-3H3
InChIKeyKUBCWMPMAPQNAK-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
CID 103458373
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
CID 106288292
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
potassium;2-ethoxybenzoic acid;hydride
CID 175278645

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one (CID 103458596) is 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one is CCOc1ccccc1C(=O)C(O)C(CC)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one?
The InChIKey is KUBCWMPMAPQNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-11(5-2)14(16)15(17)12-9-7-8-10-13(12)18-6-3/h7-11,14,16H,4-6H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one?
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one is sourced from PubChem (CID 103458596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).