1-(4-ethoxyphenyl)hexan-3-one

C14H20O2 — CID 64505470

IUPAC1-(4-ethoxyphenyl)hexan-3-one
SMILESCCCC(=O)CCc1ccc(OCC)cc1
InChIInChI=1S/C14H20O2/c1-3-5-13(15)9-6-12-7-10-14(11-8-12)16-4-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyOPNKUGXFULHZCJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-ethoxyphenyl)hexan-3-one

1-(4-ethoxyphenyl)hexan-3-one (PubChem CID 64505470) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)hexan-3-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)hexan-3-one
PubChem CID64505470
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-ethoxyphenyl)hexan-3-one
SMILESCCCC(=O)CCc1ccc(OCC)cc1
InChIInChI=1S/C14H20O2/c1-3-5-13(15)9-6-12-7-10-14(11-8-12)16-4-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyOPNKUGXFULHZCJ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propylphenoxy)pentan-2-one
CID 62549961
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
1-(4-propoxyphenyl)heptan-4-one
CID 83932327
4-(4-ethoxyphenyl)-1,1,1-trifluorobutan-2-one
CID 59202399
ethane;1-(4-methylphenyl)hexan-3-one
CID 143103433
1-(4-aminophenyl)hexan-3-one
CID 116605405
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)hexan-3-one?
The IUPAC name of 1-(4-ethoxyphenyl)hexan-3-one (CID 64505470) is 1-(4-ethoxyphenyl)hexan-3-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)hexan-3-one?
The canonical SMILES for 1-(4-ethoxyphenyl)hexan-3-one is CCCC(=O)CCc1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)hexan-3-one?
The InChIKey is OPNKUGXFULHZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-5-13(15)9-6-12-7-10-14(11-8-12)16-4-2/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)hexan-3-one?
1-(4-ethoxyphenyl)hexan-3-one has a molecular weight of 220.31 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)hexan-3-one is sourced from PubChem (CID 64505470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).