2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine

C23H27NO2 — CID 135213088

IUPAC2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine
SMILESCOC(C)/C=C(/C)OCC1=CC(c2ccccc2-c2ncccc2C)C1
InChIInChI=1S/C23H27NO2/c1-16-8-7-11-24-23(16)22-10-6-5-9-21(22)20-13-19(14-20)15-26-18(3)12-17(2)25-4/h5-13,17,20H,14-15H2,1-4H3/b18-12-
InChIKeySLEZKWPCCDKDLT-PDGQHHTCSA-N
MW349.47 g/mol
LogP5.43
Rot. Bonds7

About 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine

2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine (PubChem CID 135213088) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine
PubChem CID135213088
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine
SMILESCOC(C)/C=C(/C)OCC1=CC(c2ccccc2-c2ncccc2C)C1
InChIInChI=1S/C23H27NO2/c1-16-8-7-11-24-23(16)22-10-6-5-9-21(22)20-13-19(14-20)15-26-18(3)12-17(2)25-4/h5-13,17,20H,14-15H2,1-4H3/b18-12-
InChIKeySLEZKWPCCDKDLT-PDGQHHTCSA-N
XLogP5.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine?
The IUPAC name of 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine (CID 135213088) is 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine?
The canonical SMILES for 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine is COC(C)/C=C(/C)OCC1=CC(c2ccccc2-c2ncccc2C)C1.
What is the InChIKey of 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine?
The InChIKey is SLEZKWPCCDKDLT-PDGQHHTCSA-N. The full InChI is InChI=1S/C23H27NO2/c1-16-8-7-11-24-23(16)22-10-6-5-9-21(22)20-13-19(14-20)15-26-18(3)12-17(2)25-4/h5-13,17,20H,14-15H2,1-4H3/b18-12-.
What are the key properties of 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine?
2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine has a molecular weight of 349.47 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[(Z)-4-methoxypent-2-en-2-yl]oxymethyl]cyclobut-2-en-1-yl]phenyl]-3-methylpyridine is sourced from PubChem (CID 135213088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).