3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine

C24H24N2O2 — CID 19959374

IUPAC3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine
SMILESCOc1ccc(/C(=C/c2cccnn2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H24N2O2/c1-27-23-14-13-19(16-24(23)28-21-11-5-6-12-21)22(18-8-3-2-4-9-18)17-20-10-7-15-25-26-20/h2-4,7-10,13-17,21H,5-6,11-12H2,1H3/b22-17+
InChIKeyDAZDGVJNXOZNDF-OQKWZONESA-N
MW372.47 g/mol
LogP5.40
Rot. Bonds6

About 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine

3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine (PubChem CID 19959374) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine.

Molecular Properties

Compound Name3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine
PubChem CID19959374
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine
SMILESCOc1ccc(/C(=C/c2cccnn2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H24N2O2/c1-27-23-14-13-19(16-24(23)28-21-11-5-6-12-21)22(18-8-3-2-4-9-18)17-20-10-7-15-25-26-20/h2-4,7-10,13-17,21H,5-6,11-12H2,1H3/b22-17+
InChIKeyDAZDGVJNXOZNDF-OQKWZONESA-N
XLogP5.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(4-methylphenyl)phenyl]ethenyl]pyridine
CID 67663507
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
CID 70076005
3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]benzoic acid
CID 54106348
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
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
(NZ)-N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 57432829
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
CID 70065368
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
(Z)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 67598126
(NZ)-N-[2-chloro-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 87638358

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine?
The IUPAC name of 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine (CID 19959374) is 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine.
What is the SMILES notation for 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine?
The canonical SMILES for 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine is COc1ccc(/C(=C/c2cccnn2)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine?
The InChIKey is DAZDGVJNXOZNDF-OQKWZONESA-N. The full InChI is InChI=1S/C24H24N2O2/c1-27-23-14-13-19(16-24(23)28-21-11-5-6-12-21)22(18-8-3-2-4-9-18)17-20-10-7-15-25-26-20/h2-4,7-10,13-17,21H,5-6,11-12H2,1H3/b22-17+.
What are the key properties of 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine?
3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine has a molecular weight of 372.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine is sourced from PubChem (CID 19959374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).