3-propan-2-yl-3,4-dihydro-1H-isochromene

C12H16O — CID 130319433

IUPAC3-propan-2-yl-3,4-dihydro-1H-isochromene
SMILESCC(C)C1Cc2ccccc2CO1
InChIInChI=1S/C12H16O/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyWFNLMIKOLGLTAO-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.78
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydro-1H-isochromene

3-propan-2-yl-3,4-dihydro-1H-isochromene (PubChem CID 130319433) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydro-1H-isochromene
PubChem CID130319433
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-propan-2-yl-3,4-dihydro-1H-isochromene
SMILESCC(C)C1Cc2ccccc2CO1
InChIInChI=1S/C12H16O/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyWFNLMIKOLGLTAO-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-3,4-dihydro-1H-isochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-isochromene?
The IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-isochromene (CID 130319433) is 3-propan-2-yl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydro-1H-isochromene?
The canonical SMILES for 3-propan-2-yl-3,4-dihydro-1H-isochromene is CC(C)C1Cc2ccccc2CO1.
What is the InChIKey of 3-propan-2-yl-3,4-dihydro-1H-isochromene?
The InChIKey is WFNLMIKOLGLTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,4-dihydro-1H-isochromene?
3-propan-2-yl-3,4-dihydro-1H-isochromene has a molecular weight of 176.26 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 130319433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).