5-ethoxy-2-methyl-1-phenylpentan-1-one

C14H20O2 — CID 104845070

IUPAC5-ethoxy-2-methyl-1-phenylpentan-1-one
SMILESCCOCCCC(C)C(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-16-11-7-8-12(2)14(15)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3
InChIKeyMMTDGFOICQHFBW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.32
Rot. Bonds7

About 5-ethoxy-2-methyl-1-phenylpentan-1-one

5-ethoxy-2-methyl-1-phenylpentan-1-one (PubChem CID 104845070) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name5-ethoxy-2-methyl-1-phenylpentan-1-one
PubChem CID104845070
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-ethoxy-2-methyl-1-phenylpentan-1-one
SMILESCCOCCCC(C)C(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-16-11-7-8-12(2)14(15)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3
InChIKeyMMTDGFOICQHFBW-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-methyl-1-phenylpentan-1-one
CID 67106278
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-methyl-5-methylsulfonyl-1-phenylpentan-1-one
CID 104844968
4-cyclopropyl-2-methyl-1-phenylbutan-1-one
CID 104845058
6-ethoxy-2-methylhexanoic acid
CID 21074373
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
2-pentyl-1-phenylheptan-1-one
CID 67882345
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
CID 143215309

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-1-phenylpentan-1-one?
The IUPAC name of 5-ethoxy-2-methyl-1-phenylpentan-1-one (CID 104845070) is 5-ethoxy-2-methyl-1-phenylpentan-1-one.
What is the SMILES notation for 5-ethoxy-2-methyl-1-phenylpentan-1-one?
The canonical SMILES for 5-ethoxy-2-methyl-1-phenylpentan-1-one is CCOCCCC(C)C(=O)c1ccccc1.
What is the InChIKey of 5-ethoxy-2-methyl-1-phenylpentan-1-one?
The InChIKey is MMTDGFOICQHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-16-11-7-8-12(2)14(15)13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-1-phenylpentan-1-one?
5-ethoxy-2-methyl-1-phenylpentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 104845070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).