7-ethyl-1H-isochromene

C11H12O — CID 90840835

IUPAC7-ethyl-1H-isochromene
SMILESCCc1ccc2c(c1)COC=C2
InChIInChI=1S/C11H12O/c1-2-9-3-4-10-5-6-12-8-11(10)7-9/h3-7H,2,8H2,1H3
InChIKeyVTTHWFSKCVGHNC-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.75
Rot. Bonds1

About 7-ethyl-1H-isochromene

7-ethyl-1H-isochromene (PubChem CID 90840835) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 7-ethyl-1H-isochromene.

Molecular Properties

Compound Name7-ethyl-1H-isochromene
PubChem CID90840835
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name7-ethyl-1H-isochromene
SMILESCCc1ccc2c(c1)COC=C2
InChIInChI=1S/C11H12O/c1-2-9-3-4-10-5-6-12-8-11(10)7-9/h3-7H,2,8H2,1H3
InChIKeyVTTHWFSKCVGHNC-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1H-isochromene?
The IUPAC name of 7-ethyl-1H-isochromene (CID 90840835) is 7-ethyl-1H-isochromene.
What is the SMILES notation for 7-ethyl-1H-isochromene?
The canonical SMILES for 7-ethyl-1H-isochromene is CCc1ccc2c(c1)COC=C2.
What is the InChIKey of 7-ethyl-1H-isochromene?
The InChIKey is VTTHWFSKCVGHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-9-3-4-10-5-6-12-8-11(10)7-9/h3-7H,2,8H2,1H3.
What are the key properties of 7-ethyl-1H-isochromene?
7-ethyl-1H-isochromene has a molecular weight of 160.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1H-isochromene is sourced from PubChem (CID 90840835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).