(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone

C18H20O3 — CID 115800817

IUPAC(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H20O3/c1-4-11-21-16-8-6-5-7-15(16)18(19)14-10-9-13(2)17(12-14)20-3/h5-10,12H,4,11H2,1-3H3
InChIKeyJMCDOHMYFOEQMY-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.02
Rot. Bonds6

About (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone

(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone (PubChem CID 115800817) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
PubChem CID115800817
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H20O3/c1-4-11-21-16-8-6-5-7-15(16)18(19)14-10-9-13(2)17(12-14)20-3/h5-10,12H,4,11H2,1-3H3
InChIKeyJMCDOHMYFOEQMY-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone 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

(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
CID 116611885
(6-methoxypyridazin-3-yl)-(2-propoxyphenyl)methanone
CID 103373209
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone (CID 115800817) is (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone?
The InChIKey is JMCDOHMYFOEQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-11-21-16-8-6-5-7-15(16)18(19)14-10-9-13(2)17(12-14)20-3/h5-10,12H,4,11H2,1-3H3.
What are the key properties of (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone?
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 115800817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).