4,4a-dihydrocyclopenta[h]chromene

C12H10O — CID 151573499

IUPAC4,4a-dihydrocyclopenta[h]chromene
SMILESC1=CC2=C3OC=CCC3C=CC2=C1
InChIInChI=1S/C12H10O/c1-3-9-6-7-10-4-2-8-13-12(10)11(9)5-1/h1-3,5-8,10H,4H2
InChIKeyQEYKCMGPKAQGDM-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.86
Rot. Bonds

About 4,4a-dihydrocyclopenta[h]chromene

4,4a-dihydrocyclopenta[h]chromene (PubChem CID 151573499) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 4,4a-dihydrocyclopenta[h]chromene.

Molecular Properties

Compound Name4,4a-dihydrocyclopenta[h]chromene
PubChem CID151573499
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name4,4a-dihydrocyclopenta[h]chromene
SMILESC1=CC2=C3OC=CCC3C=CC2=C1
InChIInChI=1S/C12H10O/c1-3-9-6-7-10-4-2-8-13-12(10)11(9)5-1/h1-3,5-8,10H,4H2
InChIKeyQEYKCMGPKAQGDM-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4aH-Isochromen
CID 19966602
1,9a-Dihydrobenzo[f][2]benzofuran
CID 22463394
Cyclopenta [g]-2-benzopyrane
CID 23282440
Cyclopentachromene
CID 87622378
Cyclopenta-[g]-benzo pyrane
CID 89428281
Benzo[c]benzofuran
CID 91023391
3-methyl-4aH-isochromene
CID 91227635
(9aS,9bS)-8-fluoro-9a,9b-dihydrobenzo[e][1]benzofuran
CID 100992453
1-Methylcyclopenta[g]isochromene
CID 19010385
6-Methyl-3a,4-dihydro-1-benzofuran
CID 19852976
1,7a-Dihydro-2-benzofuran
CID 20067307
3a,4-Dihydro-1-benzofuran
CID 21895326

Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydrocyclopenta[h]chromene?
The IUPAC name of 4,4a-dihydrocyclopenta[h]chromene (CID 151573499) is 4,4a-dihydrocyclopenta[h]chromene.
What is the SMILES notation for 4,4a-dihydrocyclopenta[h]chromene?
The canonical SMILES for 4,4a-dihydrocyclopenta[h]chromene is C1=CC2=C3OC=CCC3C=CC2=C1.
What is the InChIKey of 4,4a-dihydrocyclopenta[h]chromene?
The InChIKey is QEYKCMGPKAQGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-3-9-6-7-10-4-2-8-13-12(10)11(9)5-1/h1-3,5-8,10H,4H2.
What are the key properties of 4,4a-dihydrocyclopenta[h]chromene?
4,4a-dihydrocyclopenta[h]chromene has a molecular weight of 170.21 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydrocyclopenta[h]chromene is sourced from PubChem (CID 151573499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).