3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one

C20H22O3 — CID 75891212

IUPAC3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
SMILESCOCCOc1ccc(C(=O)C=Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H22O3/c1-15-4-5-17(16(2)14-15)8-11-20(21)18-6-9-19(10-7-18)23-13-12-22-3/h4-11,14H,12-13H2,1-3H3
InChIKeySYTFFKLALLRDII-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.22
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one

3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one (PubChem CID 75891212) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
PubChem CID75891212
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
SMILESCOCCOc1ccc(C(=O)C=Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H22O3/c1-15-4-5-17(16(2)14-15)8-11-20(21)18-6-9-19(10-7-18)23-13-12-22-3/h4-11,14H,12-13H2,1-3H3
InChIKeySYTFFKLALLRDII-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[3-(2,4-dimethylphenyl)prop-2-enoyl]phenoxy]acetate
CID 76877741
(E)-3-(3,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 52644072
2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide
CID 52920702
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 22971976
(3-methylphenyl) 4-(2-methoxyethoxy)benzoate
CID 17178146
3-(4-methylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one
CID 70379262
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
methyl 5-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]furan-2-carboxylate
CID 51103383
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
3-(3,5-dibutoxy-2-methylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 54442956

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one (CID 75891212) is 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one is COCCOc1ccc(C(=O)C=Cc2ccc(C)cc2C)cc1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one?
The InChIKey is SYTFFKLALLRDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-15-4-5-17(16(2)14-15)8-11-20(21)18-6-9-19(10-7-18)23-13-12-22-3/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one?
3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one has a molecular weight of 310.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 75891212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).