ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate

C28H29NO4 — CID 139988631

IUPACethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
SMILESCCOC(=O)c1ccc(C(=Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C28H29NO4/c1-3-32-28(30)22-10-8-21(9-11-22)25(18-20-14-16-29-17-15-20)23-12-13-26(31-2)27(19-23)33-24-6-4-5-7-24/h8-19,24H,3-7H2,1-2H3
InChIKeyPMXSUKXJEKLCPZ-UHFFFAOYSA-N
MW443.54 g/mol
LogP6.18
Rot. Bonds8

About ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate

ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate (PubChem CID 139988631) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
PubChem CID139988631
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Nameethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
SMILESCCOC(=O)c1ccc(C(=Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C28H29NO4/c1-3-32-28(30)22-10-8-21(9-11-22)25(18-20-14-16-29-17-15-20)23-12-13-26(31-2)27(19-23)33-24-6-4-5-7-24/h8-19,24H,3-7H2,1-2H3
InChIKeyPMXSUKXJEKLCPZ-UHFFFAOYSA-N
XLogP6.18
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
CID 54207285
4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]pyridine
CID 54153043
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
CID 54319505
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
CID 70065368
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 142654604
3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]benzoic acid
CID 54106348
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
CID 70076005
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
CID 67586843
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(4-methylphenyl)phenyl]ethenyl]pyridine
CID 67663507

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate?
The IUPAC name of ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate (CID 139988631) is ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate.
What is the SMILES notation for ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate?
The canonical SMILES for ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate is CCOC(=O)c1ccc(C(=Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1.
What is the InChIKey of ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate?
The InChIKey is PMXSUKXJEKLCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c1-3-32-28(30)22-10-8-21(9-11-22)25(18-20-14-16-29-17-15-20)23-12-13-26(31-2)27(19-23)33-24-6-4-5-7-24/h8-19,24H,3-7H2,1-2H3.
What are the key properties of ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate?
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate has a molecular weight of 443.54 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate is sourced from PubChem (CID 139988631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).