3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene

C11H12O2 — CID 67297280

IUPAC3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene
SMILESC1=c2occc2=C2OCCCC2C1
InChIInChI=1S/C11H12O2/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1/h4-5,7-8H,1-3,6H2
InChIKeyDIOQSFDIYUWNJF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.00
Rot. Bonds

About 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene

3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene (PubChem CID 67297280) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene
PubChem CID67297280
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene
SMILESC1=c2occc2=C2OCCCC2C1
InChIInChI=1S/C11H12O2/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1/h4-5,7-8H,1-3,6H2
InChIKeyDIOQSFDIYUWNJF-UHFFFAOYSA-N
XLogP1.00
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene (CID 67297280) is 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene is C1=c2occc2=C2OCCCC2C1.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene?
The InChIKey is DIOQSFDIYUWNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-8-3-4-10-9(5-7-12-10)11(8)13-6-1/h4-5,7-8H,1-3,6H2.
What are the key properties of 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene?
3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene has a molecular weight of 176.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-2H-furo[2,3-h]chromene is sourced from PubChem (CID 67297280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).