(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

C19H20O6 — CID 162624464

IUPAC(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(O)c(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C19H20O6/c1-22-13-6-9-15(20)12(11-13)5-8-16(21)14-7-10-17(23-2)19(25-4)18(14)24-3/h5-11,20H,1-4H3/b8-5+
InChIKeyNMINBNUCQHXHSE-VMPITWQZSA-N
MW344.36 g/mol
LogP3.32
Rot. Bonds7

About (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 162624464) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
PubChem CID162624464
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(O)c(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C19H20O6/c1-22-13-6-9-15(20)12(11-13)5-8-16(21)14-7-10-17(23-2)19(25-4)18(14)24-3/h5-11,20H,1-4H3/b8-5+
InChIKeyNMINBNUCQHXHSE-VMPITWQZSA-N
XLogP3.32
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 162624440
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one
CID 142740667
(1E,4E)-1-(2-hydroxy-5-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 118731497
4-(2-hydroxy-5-methoxyphenyl)but-3-en-2-one
CID 67020173
1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 71440077
(E)-3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one;(E)-1-(2-hydroxy-5-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 130277777
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
3-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3616856
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151
(E)-3-(3,5-difluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 10215648

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (CID 162624464) is (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is COc1ccc(O)c(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1.
What is the InChIKey of (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is NMINBNUCQHXHSE-VMPITWQZSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-13-6-9-15(20)12(11-13)5-8-16(21)14-7-10-17(23-2)19(25-4)18(14)24-3/h5-11,20H,1-4H3/b8-5+.
What are the key properties of (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 344.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 162624464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).