1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one

C19H20O3 — CID 71821354

IUPAC1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1O
InChIInChI=1S/C19H20O3/c1-4-22-18-7-5-6-15(19(18)21)10-11-17(20)16-9-8-13(2)14(3)12-16/h5-12,21H,4H2,1-3H3
InChIKeyLOEIAXUAIKJWSK-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.30
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one

1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 71821354) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one
PubChem CID71821354
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1O
InChIInChI=1S/C19H20O3/c1-4-22-18-7-5-6-15(19(18)21)10-11-17(20)16-9-8-13(2)14(3)12-16/h5-12,21H,4H2,1-3H3
InChIKeyLOEIAXUAIKJWSK-UHFFFAOYSA-N
XLogP4.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-hydroxy-3-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 44791583
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-3-(2,3-dichlorophenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 7947478
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(E)-4-(4-ethoxy-3-methylphenyl)-4-oxobut-2-enoic acid
CID 82051437
2-ethoxy-6-(2-nitroethenyl)phenol
CID 2758749
2-[4-[(E)-3-[2-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]phenoxy]acetate
CID 9447772
3-(2-ethoxy-4-hydroxy-3,5-dimethylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 54491160
2-[4-[(E)-3-[3-ethoxy-2-(propylamino)phenyl]prop-2-enoyl]-2-methoxyphenyl]sulfanylacetic acid
CID 146634837
(E)-1-(3,4-diethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 6146865
(E)-3-(3,5-diethoxy-2-methylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778408
(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954962

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one (CID 71821354) is 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one is CCOc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1O.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is LOEIAXUAIKJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-22-18-7-5-6-15(19(18)21)10-11-17(20)16-9-8-13(2)14(3)12-16/h5-12,21H,4H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one?
1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 296.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(3-ethoxy-2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 71821354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).