3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one

C19H22O2 — CID 105128641

IUPAC3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)CCc1cccc(C)c1
InChIInChI=1S/C19H22O2/c1-3-13-21-19-10-5-4-9-17(19)18(20)12-11-16-8-6-7-15(2)14-16/h4-10,14H,3,11-13H2,1-2H3
InChIKeyKHUYLPFWAPFQKO-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.60
Rot. Bonds7

About 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one

3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one (PubChem CID 105128641) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one
PubChem CID105128641
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)CCc1cccc(C)c1
InChIInChI=1S/C19H22O2/c1-3-13-21-19-10-5-4-9-17(19)18(20)12-11-16-8-6-7-15(2)14-16/h4-10,14H,3,11-13H2,1-2H3
InChIKeyKHUYLPFWAPFQKO-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylphenyl)-1-(2-propoxyphenyl)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-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105128590
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725684
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate
CID 14976661
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
2-(3-methylphenyl)-1-(2-propoxyphenyl)ethanol
CID 104659511
3-chloro-1-(5-methyl-2-propoxyphenyl)propan-1-one
CID 82051946
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one?
The IUPAC name of 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one (CID 105128641) is 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one?
The canonical SMILES for 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one is CCCOc1ccccc1C(=O)CCc1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one?
The InChIKey is KHUYLPFWAPFQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-13-21-19-10-5-4-9-17(19)18(20)12-11-16-8-6-7-15(2)14-16/h4-10,14H,3,11-13H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one?
3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(2-propoxyphenyl)propan-1-one is sourced from PubChem (CID 105128641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).