3-methyl-4aH-isochromene

C10H10O — CID 91227635

IUPAC3-methyl-4aH-isochromene
SMILESCC1=CC2C=CC=CC2=CO1
InChIInChI=1S/C10H10O/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7,9H,1H3
InChIKeyNULPCLSRJOAKDC-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.55
Rot. Bonds

About 3-methyl-4aH-isochromene

3-methyl-4aH-isochromene (PubChem CID 91227635) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-4aH-isochromene.

Molecular Properties

Compound Name3-methyl-4aH-isochromene
PubChem CID91227635
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name3-methyl-4aH-isochromene
SMILESCC1=CC2C=CC=CC2=CO1
InChIInChI=1S/C10H10O/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7,9H,1H3
InChIKeyNULPCLSRJOAKDC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4aH-isochromene?
The IUPAC name of 3-methyl-4aH-isochromene (CID 91227635) is 3-methyl-4aH-isochromene.
What is the SMILES notation for 3-methyl-4aH-isochromene?
The canonical SMILES for 3-methyl-4aH-isochromene is CC1=CC2C=CC=CC2=CO1.
What is the InChIKey of 3-methyl-4aH-isochromene?
The InChIKey is NULPCLSRJOAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7,9H,1H3.
What are the key properties of 3-methyl-4aH-isochromene?
3-methyl-4aH-isochromene has a molecular weight of 146.19 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4aH-isochromene is sourced from PubChem (CID 91227635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).