3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one

C16H14O5 — CID 163007028

IUPAC3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one
SMILESCOc1cc2c(c(O)c1C1=CCC(=O)C1)C1C=COC1O2
InChIInChI=1S/C16H14O5/c1-19-11-7-12-14(10-4-5-20-16(10)21-12)15(18)13(11)8-2-3-9(17)6-8/h2,4-5,7,10,16,18H,3,6H2,1H3
InChIKeyZDIWULAYLCBDON-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.49
Rot. Bonds2

About 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one

3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one (PubChem CID 163007028) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one.

Molecular Properties

Compound Name3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one
PubChem CID163007028
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one
SMILESCOc1cc2c(c(O)c1C1=CCC(=O)C1)C1C=COC1O2
InChIInChI=1S/C16H14O5/c1-19-11-7-12-14(10-4-5-20-16(10)21-12)15(18)13(11)8-2-3-9(17)6-8/h2,4-5,7,10,16,18H,3,6H2,1H3
InChIKeyZDIWULAYLCBDON-UHFFFAOYSA-N
XLogP2.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one with MolForge

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Related Compounds

(3aR,8bS)-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-8-ol
CID 23256596
CID 174884419
CID 174884419
(4R,8S)-17-chloro-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19),15,17-heptaen-20-one
CID 163015811
(3aR,8bS)-6-methoxy-8-(4-methylphenyl)sulfinyl-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran-7-ol
CID 101068538
4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]cyclohex-3-en-1-one
CID 58803986
(4S,8R)-15-hydroxy-11,18-dimethoxy-7,9,20-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,14,16,18-heptaen-13-one
CID 51035008
(4S)-11,18-dihydroxy-16-methoxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),5,12,15,17-pentaene-2,8-dione
CID 91425834
5-[[ethyl(methyl)amino]methyl]-6-hydroxy-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9-tetraene-4,14-dione
CID 54680725
2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 44608053
6-hydroxy-8-methoxy-5-[(4-methylanilino)methyl]-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9-tetraene-4,14-dione
CID 54687683
6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
CID 102072097
2-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 162898919

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one?
The IUPAC name of 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one (CID 163007028) is 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one.
What is the SMILES notation for 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one?
The canonical SMILES for 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one is COc1cc2c(c(O)c1C1=CCC(=O)C1)C1C=COC1O2.
What is the InChIKey of 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one?
The InChIKey is ZDIWULAYLCBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-11-7-12-14(10-4-5-20-16(10)21-12)15(18)13(11)8-2-3-9(17)6-8/h2,4-5,7,10,16,18H,3,6H2,1H3.
What are the key properties of 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one?
3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one has a molecular weight of 286.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl)cyclopent-3-en-1-one is sourced from PubChem (CID 163007028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).