8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

C20H22O5 — CID 74209469

IUPAC8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESCC(C)(O)CCc1cc2c(cc1O)OC1c3ccc(O)cc3OCC21
InChIInChI=1S/C20H22O5/c1-20(2,23)6-5-11-7-14-15-10-24-17-8-12(21)3-4-13(17)19(15)25-18(14)9-16(11)22/h3-4,7-9,15,19,21-23H,5-6,10H2,1-2H3
InChIKeyCOJDUWIXGOYILT-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.41
Rot. Bonds3

About 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (PubChem CID 74209469) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.

Molecular Properties

Compound Name8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
PubChem CID74209469
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESCC(C)(O)CCc1cc2c(cc1O)OC1c3ccc(O)cc3OCC21
InChIInChI=1S/C20H22O5/c1-20(2,23)6-5-11-7-14-15-10-24-17-8-12(21)3-4-13(17)19(15)25-18(14)9-16(11)22/h3-4,7-9,15,19,21-23H,5-6,10H2,1-2H3
InChIKeyCOJDUWIXGOYILT-UHFFFAOYSA-N
XLogP3.41
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol with MolForge

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Related Compounds

(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 11462431
CID 163865661
CID 163865661
9-methoxy-8-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 162978049
(6aR,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 53298585
7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol
CID 162954457
10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 5117820
(6aR,11aS)-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 162986399
(6aR,11aR)-10-[(1E)-2,3-dimethylbuta-1,3-dienyl]-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 171353865
(6aR,11aR)-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 10408212
(6aR,8S,9R,11aR)-8,9-dimethoxy-6a,8,9,11a-tetrahydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 162901698
8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 56663805
17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),20-hexaene-7,16-diol
CID 75227278

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The IUPAC name of 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (CID 74209469) is 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.
What is the SMILES notation for 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The canonical SMILES for 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is CC(C)(O)CCc1cc2c(cc1O)OC1c3ccc(O)cc3OCC21.
What is the InChIKey of 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The InChIKey is COJDUWIXGOYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-20(2,23)6-5-11-7-14-15-10-24-17-8-12(21)3-4-13(17)19(15)25-18(14)9-16(11)22/h3-4,7-9,15,19,21-23H,5-6,10H2,1-2H3.
What are the key properties of 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol has a molecular weight of 342.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is sourced from PubChem (CID 74209469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).