1-(2-ethoxyphenyl)-2-phenylbutan-1-one

C18H20O2 — CID 114971123

IUPAC1-(2-ethoxyphenyl)-2-phenylbutan-1-one
SMILESCCOc1ccccc1C(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-15(14-10-6-5-7-11-14)18(19)16-12-8-9-13-17(16)20-4-2/h5-13,15H,3-4H2,1-2H3
InChIKeyJGGRGLYGKNJCNZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.46
Rot. Bonds6

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

1-(2-ethoxyphenyl)-2-phenylbutan-1-one (PubChem CID 114971123) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-phenylbutan-1-one
PubChem CID114971123
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2-ethoxyphenyl)-2-phenylbutan-1-one
SMILESCCOc1ccccc1C(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-15(14-10-6-5-7-11-14)18(19)16-12-8-9-13-17(16)20-4-2/h5-13,15H,3-4H2,1-2H3
InChIKeyJGGRGLYGKNJCNZ-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-3-ethoxyphenyl]-2-phenylbutan-1-one
CID 67592537
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2-ethoxybenzoic acid;zinc
CID 172723273
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-phenylbutan-1-one (CID 114971123) is 1-(2-ethoxyphenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-phenylbutan-1-one is CCOc1ccccc1C(=O)C(CC)c1ccccc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-phenylbutan-1-one?
The InChIKey is JGGRGLYGKNJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-15(14-10-6-5-7-11-14)18(19)16-12-8-9-13-17(16)20-4-2/h5-13,15H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-phenylbutan-1-one?
1-(2-ethoxyphenyl)-2-phenylbutan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 114971123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).