5-methyl-8H-isochromene

C10H10O — CID 67778584

IUPAC5-methyl-8H-isochromene
SMILESCC1=C2C=COC=C2CC=C1
InChIInChI=1S/C10H10O/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-3,5-7H,4H2,1H3
InChIKeyWWNXCEJRADPYTH-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.69
Rot. Bonds

About 5-methyl-8H-isochromene

5-methyl-8H-isochromene (PubChem CID 67778584) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methyl-8H-isochromene.

Molecular Properties

Compound Name5-methyl-8H-isochromene
PubChem CID67778584
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name5-methyl-8H-isochromene
SMILESCC1=C2C=COC=C2CC=C1
InChIInChI=1S/C10H10O/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-3,5-7H,4H2,1H3
InChIKeyWWNXCEJRADPYTH-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8H-isochromene?
The IUPAC name of 5-methyl-8H-isochromene (CID 67778584) is 5-methyl-8H-isochromene.
What is the SMILES notation for 5-methyl-8H-isochromene?
The canonical SMILES for 5-methyl-8H-isochromene is CC1=C2C=COC=C2CC=C1.
What is the InChIKey of 5-methyl-8H-isochromene?
The InChIKey is WWNXCEJRADPYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-3,5-7H,4H2,1H3.
What are the key properties of 5-methyl-8H-isochromene?
5-methyl-8H-isochromene has a molecular weight of 146.19 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8H-isochromene is sourced from PubChem (CID 67778584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).