(1Z)-3-(2-methoxyphenyl)cyclooctene

C15H20O — CID 144754683

IUPAC(1Z)-3-(2-methoxyphenyl)cyclooctene
SMILESCOc1ccccc1C1/C=C\CCCCC1
InChIInChI=1S/C15H20O/c1-16-15-12-8-7-11-14(15)13-9-5-3-2-4-6-10-13/h5,7-9,11-13H,2-4,6,10H2,1H3/b9-5-
InChIKeyUATKTQRLLYWWLS-UITAMQMPSA-N
MW216.32 g/mol
LogP4.30
Rot. Bonds2

About (1Z)-3-(2-methoxyphenyl)cyclooctene

(1Z)-3-(2-methoxyphenyl)cyclooctene (PubChem CID 144754683) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1Z)-3-(2-methoxyphenyl)cyclooctene.

Molecular Properties

Compound Name(1Z)-3-(2-methoxyphenyl)cyclooctene
PubChem CID144754683
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1Z)-3-(2-methoxyphenyl)cyclooctene
SMILESCOc1ccccc1C1/C=C\CCCCC1
InChIInChI=1S/C15H20O/c1-16-15-12-8-7-11-14(15)13-9-5-3-2-4-6-10-13/h5,7-9,11-13H,2-4,6,10H2,1H3/b9-5-
InChIKeyUATKTQRLLYWWLS-UITAMQMPSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-(2-methoxyphenyl)cyclooctene?
The IUPAC name of (1Z)-3-(2-methoxyphenyl)cyclooctene (CID 144754683) is (1Z)-3-(2-methoxyphenyl)cyclooctene.
What is the SMILES notation for (1Z)-3-(2-methoxyphenyl)cyclooctene?
The canonical SMILES for (1Z)-3-(2-methoxyphenyl)cyclooctene is COc1ccccc1C1/C=C\CCCCC1.
What is the InChIKey of (1Z)-3-(2-methoxyphenyl)cyclooctene?
The InChIKey is UATKTQRLLYWWLS-UITAMQMPSA-N. The full InChI is InChI=1S/C15H20O/c1-16-15-12-8-7-11-14(15)13-9-5-3-2-4-6-10-13/h5,7-9,11-13H,2-4,6,10H2,1H3/b9-5-.
What are the key properties of (1Z)-3-(2-methoxyphenyl)cyclooctene?
(1Z)-3-(2-methoxyphenyl)cyclooctene has a molecular weight of 216.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-(2-methoxyphenyl)cyclooctene is sourced from PubChem (CID 144754683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).