7,8,9,10-tetrahydro-2H-benzo[f]isochromene

C13H14O — CID 154272779

IUPAC7,8,9,10-tetrahydro-2H-benzo[f]isochromene
SMILESC1=c2ccc3c(c2=CCO1)CCCC3
InChIInChI=1S/C13H14O/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h5-7,9H,1-4,8H2
InChIKeyCQBAOYZARIAKPR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.11
Rot. Bonds

About 7,8,9,10-tetrahydro-2H-benzo[f]isochromene

7,8,9,10-tetrahydro-2H-benzo[f]isochromene (PubChem CID 154272779) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-2H-benzo[f]isochromene.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-2H-benzo[f]isochromene
PubChem CID154272779
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name7,8,9,10-tetrahydro-2H-benzo[f]isochromene
SMILESC1=c2ccc3c(c2=CCO1)CCCC3
InChIInChI=1S/C13H14O/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h5-7,9H,1-4,8H2
InChIKeyCQBAOYZARIAKPR-UHFFFAOYSA-N
XLogP1.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-2H-benzo[f]isochromene?
The IUPAC name of 7,8,9,10-tetrahydro-2H-benzo[f]isochromene (CID 154272779) is 7,8,9,10-tetrahydro-2H-benzo[f]isochromene.
What is the SMILES notation for 7,8,9,10-tetrahydro-2H-benzo[f]isochromene?
The canonical SMILES for 7,8,9,10-tetrahydro-2H-benzo[f]isochromene is C1=c2ccc3c(c2=CCO1)CCCC3.
What is the InChIKey of 7,8,9,10-tetrahydro-2H-benzo[f]isochromene?
The InChIKey is CQBAOYZARIAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h5-7,9H,1-4,8H2.
What are the key properties of 7,8,9,10-tetrahydro-2H-benzo[f]isochromene?
7,8,9,10-tetrahydro-2H-benzo[f]isochromene has a molecular weight of 186.25 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-2H-benzo[f]isochromene is sourced from PubChem (CID 154272779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).