1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one

C26H27NO7 — CID 175348751

IUPAC1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one
SMILESCOc1cc(C(=O)C=Cc2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC
InChIInChI=1S/C26H27NO7/c1-29-21-12-16(13-22(30-2)25(21)33-5)19-9-7-8-18(27-19)10-11-20(28)17-14-23(31-3)26(34-6)24(15-17)32-4/h7-15H,1-6H3
InChIKeyUTRXRFWOZGDLEJ-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.70
Rot. Bonds10

About 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one

1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one (PubChem CID 175348751) has the molecular formula C26H27NO7 and a molecular weight of 465.50 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one
PubChem CID175348751
Molecular FormulaC26H27NO7
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one
SMILESCOc1cc(C(=O)C=Cc2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC
InChIInChI=1S/C26H27NO7/c1-29-21-12-16(13-22(30-2)25(21)33-5)19-9-7-8-18(27-19)10-11-20(28)17-14-23(31-3)26(34-6)24(15-17)32-4/h7-15H,1-6H3
InChIKeyUTRXRFWOZGDLEJ-UHFFFAOYSA-N
XLogP4.70
TPSA85.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-acridin-9-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 163359166
3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]benzaldehyde
CID 46226880
3-(6-methoxynaphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4815904
N-[3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]acetamide
CID 14763363
3-(4-bromophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4811089
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
3-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 53402077
[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]boronic acid
CID 87055749
(E)-3-(1H-indol-4-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 127049070
(E)-3-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5379263
(E)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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CID 131885797
CID 131885797

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one (CID 175348751) is 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one is COc1cc(C(=O)C=Cc2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one?
The InChIKey is UTRXRFWOZGDLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7/c1-29-21-12-16(13-22(30-2)25(21)33-5)19-9-7-8-18(27-19)10-11-20(28)17-14-23(31-3)26(34-6)24(15-17)32-4/h7-15H,1-6H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one?
1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one has a molecular weight of 465.50 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)-3-[6-(3,4,5-trimethoxyphenyl)-2-pyridinyl]prop-2-en-1-one is sourced from PubChem (CID 175348751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).