4aH-isochromene

C9H8O — CID 19966602

IUPAC4aH-isochromene
SMILESC1=CC2=COC=CC2C=C1
InChIInChI=1S/C9H8O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-8H
InChIKeyNKIDEEIKXZTBFP-UHFFFAOYSA-N
MW132.16 g/mol
LogP2.16
Rot. Bonds

About 4aH-isochromene

4aH-isochromene (PubChem CID 19966602) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 4aH-isochromene.

Molecular Properties

Compound Name4aH-isochromene
PubChem CID19966602
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name4aH-isochromene
SMILESC1=CC2=COC=CC2C=C1
InChIInChI=1S/C9H8O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-8H
InChIKeyNKIDEEIKXZTBFP-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4aH-isochromene?
The IUPAC name of 4aH-isochromene (CID 19966602) is 4aH-isochromene.
What is the SMILES notation for 4aH-isochromene?
The canonical SMILES for 4aH-isochromene is C1=CC2=COC=CC2C=C1.
What is the InChIKey of 4aH-isochromene?
The InChIKey is NKIDEEIKXZTBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-8H.
What are the key properties of 4aH-isochromene?
4aH-isochromene has a molecular weight of 132.16 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-isochromene is sourced from PubChem (CID 19966602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).