ethane;1-(2-ethoxyphenyl)propan-1-one

C13H20O2 — CID 145111899

IUPACethane;1-(2-ethoxyphenyl)propan-1-one
SMILESCC.CCOc1ccccc1C(=O)CC
InChIInChI=1S/C11H14O2.C2H6/c1-3-10(12)9-7-5-6-8-11(9)13-4-2;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyWBVUEUWODAISGH-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.70
Rot. Bonds4

About ethane;1-(2-ethoxyphenyl)propan-1-one

ethane;1-(2-ethoxyphenyl)propan-1-one (PubChem CID 145111899) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;1-(2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(2-ethoxyphenyl)propan-1-one
PubChem CID145111899
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethane;1-(2-ethoxyphenyl)propan-1-one
SMILESCC.CCOc1ccccc1C(=O)CC
InChIInChI=1S/C11H14O2.C2H6/c1-3-10(12)9-7-5-6-8-11(9)13-4-2;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyWBVUEUWODAISGH-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-(2-ethoxyphenyl)propan-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

1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoic acid;zinc
CID 172723273
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethoxyphenyl)propan-1-one?
The IUPAC name of ethane;1-(2-ethoxyphenyl)propan-1-one (CID 145111899) is ethane;1-(2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for ethane;1-(2-ethoxyphenyl)propan-1-one?
The canonical SMILES for ethane;1-(2-ethoxyphenyl)propan-1-one is CC.CCOc1ccccc1C(=O)CC.
What is the InChIKey of ethane;1-(2-ethoxyphenyl)propan-1-one?
The InChIKey is WBVUEUWODAISGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C2H6/c1-3-10(12)9-7-5-6-8-11(9)13-4-2;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-ethoxyphenyl)propan-1-one?
ethane;1-(2-ethoxyphenyl)propan-1-one has a molecular weight of 208.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 145111899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).