(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol

C16H14O3 — CID 51028831

IUPAC(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol
SMILESO[C@@]12Cc3ccccc3[C@](O)(Cc3ccccc31)O2
InChIInChI=1S/C16H14O3/c17-15-9-11-5-1-3-7-13(11)16(18,19-15)10-12-6-2-4-8-14(12)15/h1-8,17-18H,9-10H2/t15-,16+
InChIKeyRMYUTJTUIHOVJM-IYBDPMFKSA-N
MW254.29 g/mol
LogP1.81
Rot. Bonds

About (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol

(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol (PubChem CID 51028831) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol.

Molecular Properties

Compound Name(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol
PubChem CID51028831
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol
SMILESO[C@@]12Cc3ccccc3[C@](O)(Cc3ccccc31)O2
InChIInChI=1S/C16H14O3/c17-15-9-11-5-1-3-7-13(11)16(18,19-15)10-12-6-2-4-8-14(12)15/h1-8,17-18H,9-10H2/t15-,16+
InChIKeyRMYUTJTUIHOVJM-IYBDPMFKSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol with MolForge

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Related Compounds

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CID 168862881
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
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(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
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methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
CID 11673102
CID 11673102
spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
CID 67860142
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 11986145
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
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5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol?
The IUPAC name of (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol (CID 51028831) is (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol.
What is the SMILES notation for (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol?
The canonical SMILES for (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol is O[C@@]12Cc3ccccc3[C@](O)(Cc3ccccc31)O2.
What is the InChIKey of (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol?
The InChIKey is RMYUTJTUIHOVJM-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H14O3/c17-15-9-11-5-1-3-7-13(11)16(18,19-15)10-12-6-2-4-8-14(12)15/h1-8,17-18H,9-10H2/t15-,16+.
What are the key properties of (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol?
(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol has a molecular weight of 254.29 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol is sourced from PubChem (CID 51028831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).