3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one

C18H18O3 — CID 163408612

IUPAC3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(C=CC(=O)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C18H18O3/c1-3-13-4-6-14(7-5-13)8-11-17(19)16-10-9-15(21-2)12-18(16)20/h4-12,20H,3H2,1-2H3
InChIKeyHIBCRWJLHZJCBN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.86
Rot. Bonds5

About 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one

3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one (PubChem CID 163408612) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
PubChem CID163408612
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
SMILESCCc1ccc(C=CC(=O)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C18H18O3/c1-3-13-4-6-14(7-5-13)8-11-17(19)16-10-9-15(21-2)12-18(16)20/h4-12,20H,3H2,1-2H3
InChIKeyHIBCRWJLHZJCBN-UHFFFAOYSA-N
XLogP3.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.86
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

3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 74327076
(Z)-1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 92908968
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 146223481
1-(4-ethyl-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 68605132
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 16738409
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 16738422
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6447960
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 53405565
(E)-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 12741452
(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19564738
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 143338501
(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 57391893

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one (CID 163408612) is 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is CCc1ccc(C=CC(=O)c2ccc(OC)cc2O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is HIBCRWJLHZJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-13-4-6-14(7-5-13)8-11-17(19)16-10-9-15(21-2)12-18(16)20/h4-12,20H,3H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one?
3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 163408612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).