tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol

C18H20O2 — CID 132501157

IUPACtricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol
SMILESOc1cccc2c1-c1c(O)cccc1CCCCCC2
InChIInChI=1S/C18H20O2/c19-15-11-5-9-13-7-3-1-2-4-8-14-10-6-12-16(20)18(14)17(13)15/h5-6,9-12,19-20H,1-4,7-8H2
InChIKeyVDGXTHTTWDUNKS-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.42
Rot. Bonds

About tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol

tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol (PubChem CID 132501157) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol.

Molecular Properties

Compound Nametricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol
PubChem CID132501157
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Nametricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol
SMILESOc1cccc2c1-c1c(O)cccc1CCCCCC2
InChIInChI=1S/C18H20O2/c19-15-11-5-9-13-7-3-1-2-4-8-14-10-6-12-16(20)18(14)17(13)15/h5-6,9-12,19-20H,1-4,7-8H2
InChIKeyVDGXTHTTWDUNKS-UHFFFAOYSA-N
XLogP4.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol with MolForge

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Related Compounds

5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 142874323
(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
CID 5275914
pentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-33,34,35,36-tetrol
CID 14976551
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
CID 134611635
1,2,3,4-tetrahydronaphthalene
CID 174531863
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
2-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11506999
3-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11499706
8-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
CID 53399164
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
(19-diphenylphosphanyl-3-tricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaenyl)-diphenylphosphane
CID 134992058

Frequently Asked Questions

What is the IUPAC name of tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol?
The IUPAC name of tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol (CID 132501157) is tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol.
What is the SMILES notation for tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol?
The canonical SMILES for tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol is Oc1cccc2c1-c1c(O)cccc1CCCCCC2.
What is the InChIKey of tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol?
The InChIKey is VDGXTHTTWDUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-15-11-5-9-13-7-3-1-2-4-8-14-10-6-12-16(20)18(14)17(13)15/h5-6,9-12,19-20H,1-4,7-8H2.
What are the key properties of tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol?
tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol has a molecular weight of 268.36 g/mol, XLogP of 4.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol is sourced from PubChem (CID 132501157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).