3,4-dimethyl-3,4-dihydro-1H-isochromene

C11H14O — CID 12794873

IUPAC3,4-dimethyl-3,4-dihydro-1H-isochromene
SMILESCC1OCc2ccccc2C1C
InChIInChI=1S/C11H14O/c1-8-9(2)12-7-10-5-3-4-6-11(8)10/h3-6,8-9H,7H2,1-2H3
InChIKeyFPFYZFBSRBZAHR-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.71
Rot. Bonds

About 3,4-dimethyl-3,4-dihydro-1H-isochromene

3,4-dimethyl-3,4-dihydro-1H-isochromene (PubChem CID 12794873) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name3,4-dimethyl-3,4-dihydro-1H-isochromene
PubChem CID12794873
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3,4-dimethyl-3,4-dihydro-1H-isochromene
SMILESCC1OCc2ccccc2C1C
InChIInChI=1S/C11H14O/c1-8-9(2)12-7-10-5-3-4-6-11(8)10/h3-6,8-9H,7H2,1-2H3
InChIKeyFPFYZFBSRBZAHR-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-dihydro-1H-isochromene?
The IUPAC name of 3,4-dimethyl-3,4-dihydro-1H-isochromene (CID 12794873) is 3,4-dimethyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 3,4-dimethyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for 3,4-dimethyl-3,4-dihydro-1H-isochromene is CC1OCc2ccccc2C1C.
What is the InChIKey of 3,4-dimethyl-3,4-dihydro-1H-isochromene?
The InChIKey is FPFYZFBSRBZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8-9(2)12-7-10-5-3-4-6-11(8)10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3,4-dimethyl-3,4-dihydro-1H-isochromene?
3,4-dimethyl-3,4-dihydro-1H-isochromene has a molecular weight of 162.23 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 12794873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).