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

C20H20O5 — CID 162954457

IUPAC7-(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
SMILESCC(C)(O)C1Cc2c(ccc3c2OC2c4ccc(O)cc4OCC32)O1
InChIInChI=1S/C20H20O5/c1-20(2,22)17-8-13-15(24-17)6-5-11-14-9-23-16-7-10(21)3-4-12(16)19(14)25-18(11)13/h3-7,14,17,19,21-22H,8-9H2,1-2H3
InChIKeyXUQIOELPHLDMNQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.08
Rot. Bonds1

About 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

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 (PubChem CID 162954457) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID162954457
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name7-(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
SMILESCC(C)(O)C1Cc2c(ccc3c2OC2c4ccc(O)cc4OCC32)O1
InChIInChI=1S/C20H20O5/c1-20(2,22)17-8-13-15(24-17)6-5-11-14-9-23-16-7-10(21)3-4-12(16)19(14)25-18(11)13/h3-7,14,17,19,21-22H,8-9H2,1-2H3
InChIKeyXUQIOELPHLDMNQ-UHFFFAOYSA-N
XLogP3.08
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 11462431
10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 5117820
8-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 74209469
(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,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 53298585
CID 163865661
CID 163865661
8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 56663805
(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
4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
CID 162890441
4-[8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
CID 102369763
6-[(3S,4R)-4,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol
CID 46830466

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)C1Cc2c(ccc3c2OC2c4ccc(O)cc4OCC32)O1.
What is the InChIKey of 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?
The InChIKey is XUQIOELPHLDMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-20(2,22)17-8-13-15(24-17)6-5-11-14-9-23-16-7-10(21)3-4-12(16)19(14)25-18(11)13/h3-7,14,17,19,21-22H,8-9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 340.38 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162954457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).