(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol

C16H14O3 — CID 15359812

IUPAC(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol
SMILESOc1ccc2c(c1)C[C@H]1O[C@@H]2Cc2cc(O)ccc21
InChIInChI=1S/C16H14O3/c17-11-1-3-13-9(5-11)7-16-14-4-2-12(18)6-10(14)8-15(13)19-16/h1-6,15-18H,7-8H2/t15-,16-/m1/s1
InChIKeyPKAATMULVKXHHV-HZPDHXFCSA-N
MW254.29 g/mol
LogP3.01
Rot. Bonds

About (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol

(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol (PubChem CID 15359812) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol.

Molecular Properties

Compound Name(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol
PubChem CID15359812
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol
SMILESOc1ccc2c(c1)C[C@H]1O[C@@H]2Cc2cc(O)ccc21
InChIInChI=1S/C16H14O3/c17-11-1-3-13-9(5-11)7-16-14-4-2-12(18)6-10(14)8-15(13)19-16/h1-6,15-18H,7-8H2/t15-,16-/m1/s1
InChIKeyPKAATMULVKXHHV-HZPDHXFCSA-N
XLogP3.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol?
The IUPAC name of (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol (CID 15359812) is (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol.
What is the SMILES notation for (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol?
The canonical SMILES for (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol is Oc1ccc2c(c1)C[C@H]1O[C@@H]2Cc2cc(O)ccc21.
What is the InChIKey of (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol?
The InChIKey is PKAATMULVKXHHV-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H14O3/c17-11-1-3-13-9(5-11)7-16-14-4-2-12(18)6-10(14)8-15(13)19-16/h1-6,15-18H,7-8H2/t15-,16-/m1/s1.
What are the key properties of (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol?
(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol has a molecular weight of 254.29 g/mol, XLogP of 3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol is sourced from PubChem (CID 15359812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).