3-ethyl-1-methoxy-1-phenylpentan-2-one

C14H20O2 — CID 116751408

IUPAC3-ethyl-1-methoxy-1-phenylpentan-2-one
SMILESCCC(CC)C(=O)C(OC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-11(5-2)13(15)14(16-3)12-9-7-6-8-10-12/h6-11,14H,4-5H2,1-3H3
InChIKeyCYRDZERLPFDJKA-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds6

About 3-ethyl-1-methoxy-1-phenylpentan-2-one

3-ethyl-1-methoxy-1-phenylpentan-2-one (PubChem CID 116751408) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-1-phenylpentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-methoxy-1-phenylpentan-2-one
PubChem CID116751408
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-ethyl-1-methoxy-1-phenylpentan-2-one
SMILESCCC(CC)C(=O)C(OC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-11(5-2)13(15)14(16-3)12-9-7-6-8-10-12/h6-11,14H,4-5H2,1-3H3
InChIKeyCYRDZERLPFDJKA-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-methoxy-1-phenylpentan-2-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

(3R,4S,5R)-3,4,5,6-tetrahydroxy-1-methoxy-1-phenylhexan-2-one
CID 54041421
CID 59883683
CID 59883683
1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
CID 116751519
2-methoxy-2-phenylacetate
CID 4569340
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
1-amino-4-ethyl-2-phenylhexan-3-one
CID 116567120
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
oxalic acid;1-phenylpropylbenzene
CID 67824543
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-1-phenylpentan-2-one?
The IUPAC name of 3-ethyl-1-methoxy-1-phenylpentan-2-one (CID 116751408) is 3-ethyl-1-methoxy-1-phenylpentan-2-one.
What is the SMILES notation for 3-ethyl-1-methoxy-1-phenylpentan-2-one?
The canonical SMILES for 3-ethyl-1-methoxy-1-phenylpentan-2-one is CCC(CC)C(=O)C(OC)c1ccccc1.
What is the InChIKey of 3-ethyl-1-methoxy-1-phenylpentan-2-one?
The InChIKey is CYRDZERLPFDJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-11(5-2)13(15)14(16-3)12-9-7-6-8-10-12/h6-11,14H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-1-methoxy-1-phenylpentan-2-one?
3-ethyl-1-methoxy-1-phenylpentan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-1-phenylpentan-2-one is sourced from PubChem (CID 116751408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).