(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one

C20H22O4 — CID 9448246

IUPAC(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1OCC
InChIInChI=1S/C20H22O4/c1-3-12-24-19-11-9-15(13-20(19)23-4-2)8-10-18(22)16-6-5-7-17(21)14-16/h5-11,13-14,21H,3-4,12H2,1-2H3/b10-8+
InChIKeySOMWQUWMLGTTBJ-CSKARUKUSA-N
MW326.39 g/mol
LogP4.48
Rot. Bonds8

About (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one

(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 9448246) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID9448246
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1OCC
InChIInChI=1S/C20H22O4/c1-3-12-24-19-11-9-15(13-20(19)23-4-2)8-10-18(22)16-6-5-7-17(21)14-16/h5-11,13-14,21H,3-4,12H2,1-2H3/b10-8+
InChIKeySOMWQUWMLGTTBJ-CSKARUKUSA-N
XLogP4.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 19562910
4-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 27112216
4-[5-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]butanenitrile
CID 49150971
(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50884823
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 55768978
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 33317052
(E)-1-(3,4-diethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 6146865
3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one
CID 2930717
2-[2-ethoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]-N,N-dimethylacetamide
CID 8832683
N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 8858895
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
3-(4-butoxy-3-ethoxyphenyl)prop-2-enoic acid
CID 3838298

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one (CID 9448246) is (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one is CCCOc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1OCC.
What is the InChIKey of (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is SOMWQUWMLGTTBJ-CSKARUKUSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-12-24-19-11-9-15(13-20(19)23-4-2)8-10-18(22)16-6-5-7-17(21)14-16/h5-11,13-14,21H,3-4,12H2,1-2H3/b10-8+.
What are the key properties of (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 326.39 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 9448246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).