ethane;7-ethenylisochromen-1-one

C15H20O2 — CID 178177183

IUPACethane;7-ethenylisochromen-1-one
SMILESC=Cc1ccc2ccoc(=O)c2c1.CC.CC
InChIInChI=1S/C11H8O2.2C2H6/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8;2*1-2/h2-7H,1H2;2*1-2H3
InChIKeyHHAZOZFFSQFXKM-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.49
Rot. Bonds1

About ethane;7-ethenylisochromen-1-one

ethane;7-ethenylisochromen-1-one (PubChem CID 178177183) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethane;7-ethenylisochromen-1-one.

Molecular Properties

Compound Nameethane;7-ethenylisochromen-1-one
PubChem CID178177183
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethane;7-ethenylisochromen-1-one
SMILESC=Cc1ccc2ccoc(=O)c2c1.CC.CC
InChIInChI=1S/C11H8O2.2C2H6/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8;2*1-2/h2-7H,1H2;2*1-2H3
InChIKeyHHAZOZFFSQFXKM-UHFFFAOYSA-N
XLogP4.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethenylisochromen-1-one
CID 178177184
7-fluoroisochromen-1-one
CID 139821040
1-(bromomethyl)-7-ethenylnaphthalene
CID 139944497
1-chloro-7-ethenylnaphthalene
CID 54488465
2,6-bis(ethenyl)anthracene
CID 102227749
2-ethenylhexahelicene
CID 71739612
[1,3]dioxolo[4,5-g]isochromen-5-one
CID 15120993
14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 15980865
2-(bromomethyl)-6-ethenylnaphthalene
CID 139944485
2-(chloromethyl)-4-ethenyl-1-ethylbenzene
CID 19883815
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
6-ethenyl-2-methylisoquinolin-1-one
CID 154656300

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethenylisochromen-1-one?
The IUPAC name of ethane;7-ethenylisochromen-1-one (CID 178177183) is ethane;7-ethenylisochromen-1-one.
What is the SMILES notation for ethane;7-ethenylisochromen-1-one?
The canonical SMILES for ethane;7-ethenylisochromen-1-one is C=Cc1ccc2ccoc(=O)c2c1.CC.CC.
What is the InChIKey of ethane;7-ethenylisochromen-1-one?
The InChIKey is HHAZOZFFSQFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.2C2H6/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8;2*1-2/h2-7H,1H2;2*1-2H3.
What are the key properties of ethane;7-ethenylisochromen-1-one?
ethane;7-ethenylisochromen-1-one has a molecular weight of 232.32 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethenylisochromen-1-one is sourced from PubChem (CID 178177183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).