1-(2-ethoxyphenyl)-2-methoxypentan-1-one

C14H20O3 — CID 116708029

IUPAC1-(2-ethoxyphenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1ccccc1OCC
InChIInChI=1S/C14H20O3/c1-4-8-13(16-3)14(15)11-9-6-7-10-12(11)17-5-2/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyYPBGCNXXERPUSV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-methoxypentan-1-one

1-(2-ethoxyphenyl)-2-methoxypentan-1-one (PubChem CID 116708029) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methoxypentan-1-one
PubChem CID116708029
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(2-ethoxyphenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1ccccc1OCC
InChIInChI=1S/C14H20O3/c1-4-8-13(16-3)14(15)11-9-6-7-10-12(11)17-5-2/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyYPBGCNXXERPUSV-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127
ethyl 2-(2-ethoxybenzoyl)pentanoate
CID 83043540
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methoxypentan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methoxypentan-1-one (CID 116708029) is 1-(2-ethoxyphenyl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methoxypentan-1-one?
The InChIKey is YPBGCNXXERPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-8-13(16-3)14(15)11-9-6-7-10-12(11)17-5-2/h6-7,9-10,13H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methoxypentan-1-one?
1-(2-ethoxyphenyl)-2-methoxypentan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methoxypentan-1-one is sourced from PubChem (CID 116708029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).