[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol

C19H19FO2 — CID 59465324

IUPAC[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol
SMILESOC[C@H]1CC[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1
InChIInChI=1S/C19H19FO2/c20-14-6-5-13-9-12-3-1-2-4-16(12)17-8-7-15(11-21)22-19(17)18(13)10-14/h1-6,10,15,17,19,21H,7-9,11H2/t15-,17-,19+/m1/s1
InChIKeyVMLYFIJLKIWQQW-SUMDDJOVSA-N
MW298.36 g/mol
LogP3.73
Rot. Bonds1

About [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol

[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol (PubChem CID 59465324) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol
PubChem CID59465324
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol
SMILESOC[C@H]1CC[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1
InChIInChI=1S/C19H19FO2/c20-14-6-5-13-9-12-3-1-2-4-16(12)17-8-7-15(11-21)22-19(17)18(13)10-14/h1-6,10,15,17,19,21H,7-9,11H2/t15-,17-,19+/m1/s1
InChIKeyVMLYFIJLKIWQQW-SUMDDJOVSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol?
The IUPAC name of [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol (CID 59465324) is [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol.
What is the SMILES notation for [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol?
The canonical SMILES for [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol is OC[C@H]1CC[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1.
What is the InChIKey of [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol?
The InChIKey is VMLYFIJLKIWQQW-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H19FO2/c20-14-6-5-13-9-12-3-1-2-4-16(12)17-8-7-15(11-21)22-19(17)18(13)10-14/h1-6,10,15,17,19,21H,7-9,11H2/t15-,17-,19+/m1/s1.
What are the key properties of [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol?
[(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol has a molecular weight of 298.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,7R)-18-fluoro-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-4-yl]methanol is sourced from PubChem (CID 59465324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).