3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane

C19H18O — CID 150882021

IUPAC3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
SMILESc1ccc2c(c1)Cc1c-2cccc1C1CCC2OC2C1
InChIInChI=1S/C19H18O/c1-2-5-14-12(4-1)10-17-15(6-3-7-16(14)17)13-8-9-18-19(11-13)20-18/h1-7,13,18-19H,8-11H2
InChIKeyKWFDDSOOLNZBPT-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.29
Rot. Bonds1

About 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane

3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 150882021) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID150882021
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
SMILESc1ccc2c(c1)Cc1c-2cccc1C1CCC2OC2C1
InChIInChI=1S/C19H18O/c1-2-5-14-12(4-1)10-17-15(6-3-7-16(14)17)13-8-9-18-19(11-13)20-18/h1-7,13,18-19H,8-11H2
InChIKeyKWFDDSOOLNZBPT-UHFFFAOYSA-N
XLogP4.29
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(3-methylidenecyclohexyl)-9H-fluorene
CID 175175773
1,2-diphenyl-9H-fluorene;6-oxabicyclo[3.1.0]hexane
CID 174986873
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
CID 175851638
1-[1-(1,3-dimethylcyclopenta-2,4-dien-1-yl)-4-(9H-fluoren-1-yl)cyclohexyl]-9H-fluorene
CID 139792875
CID 123562270
CID 123562270
1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one
CID 151393743
acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole
CID 144815716
Fluorenylsilane
CID 22104606
bis(9H-fluoren-1-yl)mercury
CID 154196677

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane (CID 150882021) is 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane is c1ccc2c(c1)Cc1c-2cccc1C1CCC2OC2C1.
What is the InChIKey of 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is KWFDDSOOLNZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-5-14-12(4-1)10-17-15(6-3-7-16(14)17)13-8-9-18-19(11-13)20-18/h1-7,13,18-19H,8-11H2.
What are the key properties of 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane?
3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 262.35 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 150882021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).