2,4-dihydro-1H-benzo[f]isochromene

C13H12O — CID 134228167

IUPAC2,4-dihydro-1H-benzo[f]isochromene
SMILESc1ccc2c3c(ccc2c1)COCC3
InChIInChI=1S/C13H12O/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6H,7-9H2
InChIKeyBCAALVQHJMCWCU-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.91
Rot. Bonds

About 2,4-dihydro-1H-benzo[f]isochromene

2,4-dihydro-1H-benzo[f]isochromene (PubChem CID 134228167) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,4-dihydro-1H-benzo[f]isochromene.

Molecular Properties

Compound Name2,4-dihydro-1H-benzo[f]isochromene
PubChem CID134228167
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2,4-dihydro-1H-benzo[f]isochromene
SMILESc1ccc2c3c(ccc2c1)COCC3
InChIInChI=1S/C13H12O/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6H,7-9H2
InChIKeyBCAALVQHJMCWCU-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-benzo[f]isochromene?
The IUPAC name of 2,4-dihydro-1H-benzo[f]isochromene (CID 134228167) is 2,4-dihydro-1H-benzo[f]isochromene.
What is the SMILES notation for 2,4-dihydro-1H-benzo[f]isochromene?
The canonical SMILES for 2,4-dihydro-1H-benzo[f]isochromene is c1ccc2c3c(ccc2c1)COCC3.
What is the InChIKey of 2,4-dihydro-1H-benzo[f]isochromene?
The InChIKey is BCAALVQHJMCWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6H,7-9H2.
What are the key properties of 2,4-dihydro-1H-benzo[f]isochromene?
2,4-dihydro-1H-benzo[f]isochromene has a molecular weight of 184.24 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-benzo[f]isochromene is sourced from PubChem (CID 134228167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).