2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one

C19H20O3 — CID 56637248

IUPAC2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one
SMILESCOc1ccc(C2C(=O)C2c2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C19H20O3/c1-11-5-7-14(12(2)9-11)17-18(19(17)20)15-8-6-13(21-3)10-16(15)22-4/h5-10,17-18H,1-4H3
InChIKeyFRDQFLFEMYYHHF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.77
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one

2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one (PubChem CID 56637248) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one
PubChem CID56637248
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one
SMILESCOc1ccc(C2C(=O)C2c2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C19H20O3/c1-11-5-7-14(12(2)9-11)17-18(19(17)20)15-8-6-13(21-3)10-16(15)22-4/h5-10,17-18H,1-4H3
InChIKeyFRDQFLFEMYYHHF-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 13159350
(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 7373110
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158692
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
12-(hydroxymethyl)-8,16-dimethoxypentacyclo[12.4.0.02,4.05,10.011,13]octadeca-1(14),5(10),6,8,15,17-hexaen-3-one
CID 162406258
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
[5-(2,4-dimethylphenyl)-4-oxocyclopent-2-en-1-yl]methyl 4-methoxybenzoate
CID 163397160
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one (CID 56637248) is 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one is COc1ccc(C2C(=O)C2c2ccc(C)cc2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one?
The InChIKey is FRDQFLFEMYYHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-11-5-7-14(12(2)9-11)17-18(19(17)20)15-8-6-13(21-3)10-16(15)22-4/h5-10,17-18H,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one?
2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one has a molecular weight of 296.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)cyclopropan-1-one is sourced from PubChem (CID 56637248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).