1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one

C19H20O2 — CID 105134381

IUPAC1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C19H20O2/c1-14-4-2-3-5-15(14)8-13-19(20)16-6-9-17(10-7-16)21-18-11-12-18/h2-7,9-10,18H,8,11-13H2,1H3
InChIKeyOXFGYAPKNBKANU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.35
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one

1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one (PubChem CID 105134381) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one
PubChem CID105134381
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C19H20O2/c1-14-4-2-3-5-15(14)8-13-19(20)16-6-9-17(10-7-16)21-18-11-12-18/h2-7,9-10,18H,8,11-13H2,1H3
InChIKeyOXFGYAPKNBKANU-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520628
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclobutyl-4-(2-methylphenyl)butan-2-one
CID 105102936
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 90102883
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one (CID 105134381) is 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is OXFGYAPKNBKANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-14-4-2-3-5-15(14)8-13-19(20)16-6-9-17(10-7-16)21-18-11-12-18/h2-7,9-10,18H,8,11-13H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one?
1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 105134381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).