(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one

C20H21NO3 — CID 142654604

IUPAC(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccncc2)cc1OC1CCCC1
InChIInChI=1S/C20H21NO3/c1-23-19-9-7-16(14-20(19)24-17-4-2-3-5-17)18(22)8-6-15-10-12-21-13-11-15/h6-14,17H,2-5H2,1H3/b8-6+
InChIKeyLIKJRDAJJSXASG-SOFGYWHQSA-N
MW323.39 g/mol
LogP4.31
Rot. Bonds6

About (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one

(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one (PubChem CID 142654604) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
PubChem CID142654604
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccncc2)cc1OC1CCCC1
InChIInChI=1S/C20H21NO3/c1-23-19-9-7-16(14-20(19)24-17-4-2-3-5-17)18(22)8-6-15-10-12-21-13-11-15/h6-14,17H,2-5H2,1H3/b8-6+
InChIKeyLIKJRDAJJSXASG-SOFGYWHQSA-N
XLogP4.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]pyridine
CID 54153043
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
CID 142654603
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
CID 70065368
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 142654600
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
CID 54319505
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 82639722
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
CID 54207285
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one (CID 142654604) is (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccncc2)cc1OC1CCCC1.
What is the InChIKey of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The InChIKey is LIKJRDAJJSXASG-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H21NO3/c1-23-19-9-7-16(14-20(19)24-17-4-2-3-5-17)18(22)8-6-15-10-12-21-13-11-15/h6-14,17H,2-5H2,1H3/b8-6+.
What are the key properties of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one has a molecular weight of 323.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 142654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).