3-ethoxy-1-(2-methoxyphenyl)hexan-2-one

C15H22O3 — CID 116707998

IUPAC3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
SMILESCCCC(OCC)C(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22O3/c1-4-8-15(18-5-2)13(16)11-12-9-6-7-10-14(12)17-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3
InChIKeyNAKORFBIBOPNOH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.01
Rot. Bonds8

About 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one

3-ethoxy-1-(2-methoxyphenyl)hexan-2-one (PubChem CID 116707998) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
PubChem CID116707998
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
SMILESCCCC(OCC)C(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22O3/c1-4-8-15(18-5-2)13(16)11-12-9-6-7-10-14(12)17-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3
InChIKeyNAKORFBIBOPNOH-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
CID 116751795
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835
1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
CID 102617817
2-methylpentyl 2-(2-methoxyphenyl)acetate
CID 129279384
1-(2,5-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116708002
(2-methoxyphenyl)methyl 2-methylpentanoate
CID 78842249
1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
CID 116707900
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-one
CID 116707739
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-(2-fluoro-3-methoxyphenyl)-3-hydroxyhexan-2-one
CID 103453798
1-(3,4-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116707862
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one?
The IUPAC name of 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one (CID 116707998) is 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one.
What is the SMILES notation for 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one?
The canonical SMILES for 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one is CCCC(OCC)C(=O)Cc1ccccc1OC.
What is the InChIKey of 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one?
The InChIKey is NAKORFBIBOPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-8-15(18-5-2)13(16)11-12-9-6-7-10-14(12)17-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3.
What are the key properties of 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one?
3-ethoxy-1-(2-methoxyphenyl)hexan-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methoxyphenyl)hexan-2-one is sourced from PubChem (CID 116707998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).