tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol

C16H16O3 — CID 123144180

IUPACtetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol
SMILESOc1c2c(c(O)c3c(O)cccc13)C1CCC2CC1
InChIInChI=1S/C16H16O3/c17-11-3-1-2-10-14(11)16(19)13-9-6-4-8(5-7-9)12(13)15(10)18/h1-3,8-9,17-19H,4-7H2
InChIKeyQOCWFDJUXPLBAS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.71
Rot. Bonds

About tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol

tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol (PubChem CID 123144180) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol.

Molecular Properties

Compound Nametetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol
PubChem CID123144180
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nametetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol
SMILESOc1c2c(c(O)c3c(O)cccc13)C1CCC2CC1
InChIInChI=1S/C16H16O3/c17-11-3-1-2-10-14(11)16(19)13-9-6-4-8(5-7-9)12(13)15(10)18/h1-3,8-9,17-19H,4-7H2
InChIKeyQOCWFDJUXPLBAS-UHFFFAOYSA-N
XLogP3.71
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol?
The IUPAC name of tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol (CID 123144180) is tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol.
What is the SMILES notation for tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol?
The canonical SMILES for tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol is Oc1c2c(c(O)c3c(O)cccc13)C1CCC2CC1.
What is the InChIKey of tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol?
The InChIKey is QOCWFDJUXPLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-11-3-1-2-10-14(11)16(19)13-9-6-4-8(5-7-9)12(13)15(10)18/h1-3,8-9,17-19H,4-7H2.
What are the key properties of tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol?
tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol has a molecular weight of 256.30 g/mol, XLogP of 3.71, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3,5,10-triol is sourced from PubChem (CID 123144180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).