4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine

C26H27NO2 — CID 54319505

IUPAC4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
SMILESCOc1ccc(C(=Cc2ccncc2)c2cccc(C)c2)cc1OC1CCCC1
InChIInChI=1S/C26H27NO2/c1-19-6-5-7-21(16-19)24(17-20-12-14-27-15-13-20)22-10-11-25(28-2)26(18-22)29-23-8-3-4-9-23/h5-7,10-18,23H,3-4,8-9H2,1-2H3
InChIKeySQPZNLQDOYBTTC-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.31
Rot. Bonds6

About 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine

4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine (PubChem CID 54319505) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
PubChem CID54319505
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
SMILESCOc1ccc(C(=Cc2ccncc2)c2cccc(C)c2)cc1OC1CCCC1
InChIInChI=1S/C26H27NO2/c1-19-6-5-7-21(16-19)24(17-20-12-14-27-15-13-20)22-10-11-25(28-2)26(18-22)29-23-8-3-4-9-23/h5-7,10-18,23H,3-4,8-9H2,1-2H3
InChIKeySQPZNLQDOYBTTC-UHFFFAOYSA-N
XLogP6.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]pyridine
CID 54153043
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
CID 70065368
ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
CID 54207285
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
CID 70076005
(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
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(4-methylphenyl)phenyl]ethenyl]pyridine
CID 67663507
3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine
CID 19959374
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine?
The IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine (CID 54319505) is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine?
The canonical SMILES for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine is COc1ccc(C(=Cc2ccncc2)c2cccc(C)c2)cc1OC1CCCC1.
What is the InChIKey of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine?
The InChIKey is SQPZNLQDOYBTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-19-6-5-7-21(16-19)24(17-20-12-14-27-15-13-20)22-10-11-25(28-2)26(18-22)29-23-8-3-4-9-23/h5-7,10-18,23H,3-4,8-9H2,1-2H3.
What are the key properties of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine?
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine has a molecular weight of 385.51 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine is sourced from PubChem (CID 54319505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).