15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol

C18H20O4 — CID 15429795

IUPAC15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol
SMILESCc1c2cccc1C(O)C(O)c1cccc(c1C)C(O)C2O
InChIInChI=1S/C18H20O4/c1-9-11-5-3-6-12(9)16(20)18(22)14-8-4-7-13(10(14)2)17(21)15(11)19/h3-8,15-22H,1-2H3
InChIKeyLMSWAUCOFZIADV-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.15
Rot. Bonds

About 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol

15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol (PubChem CID 15429795) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol.

Molecular Properties

Compound Name15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol
PubChem CID15429795
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol
SMILESCc1c2cccc1C(O)C(O)c1cccc(c1C)C(O)C2O
InChIInChI=1S/C18H20O4/c1-9-11-5-3-6-12(9)16(20)18(22)14-8-4-7-13(10(14)2)17(21)15(11)19/h3-8,15-22H,1-2H3
InChIKeyLMSWAUCOFZIADV-UHFFFAOYSA-N
XLogP2.15
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol?
The IUPAC name of 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol (CID 15429795) is 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol.
What is the SMILES notation for 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol?
The canonical SMILES for 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol is Cc1c2cccc1C(O)C(O)c1cccc(c1C)C(O)C2O.
What is the InChIKey of 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol?
The InChIKey is LMSWAUCOFZIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-9-11-5-3-6-12(9)16(20)18(22)14-8-4-7-13(10(14)2)17(21)15(11)19/h3-8,15-22H,1-2H3.
What are the key properties of 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol?
15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol has a molecular weight of 300.35 g/mol, XLogP of 2.15, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetrol is sourced from PubChem (CID 15429795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).