6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one

C17H12O3S — CID 70430776

IUPAC6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one
SMILESO=c1c2c(oc3cc(O)ccc13)CCC2=Cc1ccsc1
InChIInChI=1S/C17H12O3S/c18-12-2-3-13-15(8-12)20-14-4-1-11(16(14)17(13)19)7-10-5-6-21-9-10/h2-3,5-9,18H,1,4H2
InChIKeyDZBZNZDZAZBQNW-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.05
Rot. Bonds1

About 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one

6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one (PubChem CID 70430776) has the molecular formula C17H12O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one.

Molecular Properties

Compound Name6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one
PubChem CID70430776
Molecular FormulaC17H12O3S
Molecular Weight296.35 g/mol
Exact Mass296.05
IUPAC Name6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one
SMILESO=c1c2c(oc3cc(O)ccc13)CCC2=Cc1ccsc1
InChIInChI=1S/C17H12O3S/c18-12-2-3-13-15(8-12)20-14-4-1-11(16(14)17(13)19)7-10-5-6-21-9-10/h2-3,5-9,18H,1,4H2
InChIKeyDZBZNZDZAZBQNW-UHFFFAOYSA-N
XLogP4.05
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one?
The IUPAC name of 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one (CID 70430776) is 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one.
What is the SMILES notation for 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one?
The canonical SMILES for 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one is O=c1c2c(oc3cc(O)ccc13)CCC2=Cc1ccsc1.
What is the InChIKey of 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one?
The InChIKey is DZBZNZDZAZBQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3S/c18-12-2-3-13-15(8-12)20-14-4-1-11(16(14)17(13)19)7-10-5-6-21-9-10/h2-3,5-9,18H,1,4H2.
What are the key properties of 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one?
6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one has a molecular weight of 296.35 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(thiophen-3-ylmethylidene)-2,3-dihydrocyclopenta[b]chromen-9-one is sourced from PubChem (CID 70430776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).