(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one

C20H20O5 — CID 57391893

IUPAC(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C/c2cc(OC)cc(OC)c2)c(O)c1
InChIInChI=1S/C20H20O5/c1-4-9-25-15-6-7-18(20(22)13-15)19(21)8-5-14-10-16(23-2)12-17(11-14)24-3/h4-8,10-13,22H,1,9H2,2-3H3/b8-5+
InChIKeyRNFGCQKOWASNGZ-VMPITWQZSA-N
MW340.38 g/mol
LogP3.87
Rot. Bonds8

About (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one

(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one (PubChem CID 57391893) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
PubChem CID57391893
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C/c2cc(OC)cc(OC)c2)c(O)c1
InChIInChI=1S/C20H20O5/c1-4-9-25-15-6-7-18(20(22)13-15)19(21)8-5-14-10-16(23-2)12-17(11-14)24-3/h4-8,10-13,22H,1,9H2,2-3H3/b8-5+
InChIKeyRNFGCQKOWASNGZ-VMPITWQZSA-N
XLogP3.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 163408612
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 53405565
(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
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
CID 163381454
(E)-3-(3,5-dimethoxyphenyl)-1-(2,5-dimethylfuran-3-yl)prop-2-en-1-one
CID 9034073
(E)-3-(4-tert-butylphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one
CID 19910204
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 16738409
1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849823
1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 68935399
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 101389941

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one (CID 57391893) is (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one is C=CCOc1ccc(C(=O)/C=C/c2cc(OC)cc(OC)c2)c(O)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one?
The InChIKey is RNFGCQKOWASNGZ-VMPITWQZSA-N. The full InChI is InChI=1S/C20H20O5/c1-4-9-25-15-6-7-18(20(22)13-15)19(21)8-5-14-10-16(23-2)12-17(11-14)24-3/h4-8,10-13,22H,1,9H2,2-3H3/b8-5+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one?
(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one has a molecular weight of 340.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 57391893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).