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

C18H17IO5 — CID 162624440

IUPAC(E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cc(I)ccc2O)c(OC)c1OC
InChIInChI=1S/C18H17IO5/c1-22-16-9-6-13(17(23-2)18(16)24-3)15(21)7-4-11-10-12(19)5-8-14(11)20/h4-10,20H,1-3H3/b7-4+
InChIKeyWOZRSXZZIOCUSC-QPJJXVBHSA-N
MW440.23 g/mol
LogP3.92
Rot. Bonds6

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

(E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 162624440) has the molecular formula C18H17IO5 and a molecular weight of 440.23 g/mol. Its IUPAC name is (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
PubChem CID162624440
Molecular FormulaC18H17IO5
Molecular Weight440.23 g/mol
Exact Mass440.01
IUPAC Name(E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cc(I)ccc2O)c(OC)c1OC
InChIInChI=1S/C18H17IO5/c1-22-16-9-6-13(17(23-2)18(16)24-3)15(21)7-4-11-10-12(19)5-8-14(11)20/h4-10,20H,1-3H3/b7-4+
InChIKeyWOZRSXZZIOCUSC-QPJJXVBHSA-N
XLogP3.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 162624464
1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 71440077
(E)-3-(3,5-difluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 10215648
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 127051469
1-(2,4-dichlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54371850
1-(5-bromo-2-hydroxyphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one
CID 154574212
(E)-3-(2-hydroxy-5-methylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 162624418
(E)-3-(5-chloro-2-hydroxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 162624424
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one
CID 142740667
(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone
CID 121222968
(E)-3-(5-bromo-2-methoxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 19540764
(E)-3-(4-ethoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 5379227

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (CID 162624440) is (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cc(I)ccc2O)c(OC)c1OC.
What is the InChIKey of (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is WOZRSXZZIOCUSC-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H17IO5/c1-22-16-9-6-13(17(23-2)18(16)24-3)15(21)7-4-11-10-12(19)5-8-14(11)20/h4-10,20H,1-3H3/b7-4+.
What are the key properties of (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 440.23 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxy-5-iodophenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 162624440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).