1-(2-ethoxyphenyl)-2-methylpropan-1-one

C12H16O2 — CID 62800406

IUPAC1-(2-ethoxyphenyl)-2-methylpropan-1-one
SMILESCCOc1ccccc1C(=O)C(C)C
InChIInChI=1S/C12H16O2/c1-4-14-11-8-6-5-7-10(11)12(13)9(2)3/h5-9H,4H2,1-3H3
InChIKeyXXFPLKLRJWIHAY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.92
Rot. Bonds4

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

1-(2-ethoxyphenyl)-2-methylpropan-1-one (PubChem CID 62800406) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methylpropan-1-one
PubChem CID62800406
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2-ethoxyphenyl)-2-methylpropan-1-one
SMILESCCOc1ccccc1C(=O)C(C)C
InChIInChI=1S/C12H16O2/c1-4-14-11-8-6-5-7-10(11)12(13)9(2)3/h5-9H,4H2,1-3H3
InChIKeyXXFPLKLRJWIHAY-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethoxyphenyl)-2-methylpropan-1-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

2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
2-(aminomethyl)-1-(2-ethoxyphenyl)-3-methylbutan-1-one
CID 116573817
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
CID 66469435
2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82101024
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methylpropan-1-one (CID 62800406) is 1-(2-ethoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methylpropan-1-one is CCOc1ccccc1C(=O)C(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methylpropan-1-one?
The InChIKey is XXFPLKLRJWIHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-14-11-8-6-5-7-10(11)12(13)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methylpropan-1-one?
1-(2-ethoxyphenyl)-2-methylpropan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 62800406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).