(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol

C15H12O3 — CID 139180489

IUPAC(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol
SMILESO[C@H]1c2ccccc2[C@H]2Oc3ccccc3[C@@H]1O2
InChIInChI=1S/C15H12O3/c16-13-9-5-1-2-6-10(9)15-17-12-8-4-3-7-11(12)14(13)18-15/h1-8,13-16H/t13-,14-,15-/m0/s1
InChIKeyAKMBOILTQQLWBS-KKUMJFAQSA-N
MW240.26 g/mol
LogP2.88
Rot. Bonds

About (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol

(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol (PubChem CID 139180489) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol.

Molecular Properties

Compound Name(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol
PubChem CID139180489
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol
SMILESO[C@H]1c2ccccc2[C@H]2Oc3ccccc3[C@@H]1O2
InChIInChI=1S/C15H12O3/c16-13-9-5-1-2-6-10(9)15-17-12-8-4-3-7-11(12)14(13)18-15/h1-8,13-16H/t13-,14-,15-/m0/s1
InChIKeyAKMBOILTQQLWBS-KKUMJFAQSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol with MolForge

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Related Compounds

2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 155934792
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179
(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 11042883
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 12740385
(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol
CID 45117222
(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
CID 853425
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
1-[(2S,3R)-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]propan-1-one
CID 71445172
(1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 1226589
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
CID 10511719

Frequently Asked Questions

What is the IUPAC name of (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol?
The IUPAC name of (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol (CID 139180489) is (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol.
What is the SMILES notation for (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol?
The canonical SMILES for (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol is O[C@H]1c2ccccc2[C@H]2Oc3ccccc3[C@@H]1O2.
What is the InChIKey of (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol?
The InChIKey is AKMBOILTQQLWBS-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H12O3/c16-13-9-5-1-2-6-10(9)15-17-12-8-4-3-7-11(12)14(13)18-15/h1-8,13-16H/t13-,14-,15-/m0/s1.
What are the key properties of (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol?
(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol has a molecular weight of 240.26 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol is sourced from PubChem (CID 139180489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).