tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol

C16H12O2 — CID 71321539

IUPACtetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol
SMILESOc1c2c(c(O)c3cc4ccccc4cc13)CC2
InChIInChI=1S/C16H12O2/c17-15-11-5-6-12(11)16(18)14-8-10-4-2-1-3-9(10)7-13(14)15/h1-4,7-8,17-18H,5-6H2
InChIKeyVAFMXMHFIPXVIW-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.50
Rot. Bonds

About tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol

tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol (PubChem CID 71321539) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol.

Molecular Properties

Compound Nametetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol
PubChem CID71321539
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Nametetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol
SMILESOc1c2c(c(O)c3cc4ccccc4cc13)CC2
InChIInChI=1S/C16H12O2/c17-15-11-5-6-12(11)16(18)14-8-10-4-2-1-3-9(10)7-13(14)15/h1-4,7-8,17-18H,5-6H2
InChIKeyVAFMXMHFIPXVIW-UHFFFAOYSA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol with MolForge

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Related Compounds

2,3-dihydroanthracene-1,4-diol
CID 141072383
CID 89262500
CID 89262500
heptacen-1-ol
CID 150633624
6-aminobenzo[a]anthracen-5-ol
CID 131861794
naphthalene-2,3-diol;titanium
CID 87616563
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
sodium naphthalene-2,3-diol
CID 23069442
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
5-[13-(3,5-dihydroxyphenyl)pentacen-6-yl]benzene-1,3-diol
CID 102071732
4-hydroxyanthracen-1-olate
CID 143324809
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
2-phenylanthracen-1-ol
CID 54315343

Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol?
The IUPAC name of tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol (CID 71321539) is tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol.
What is the SMILES notation for tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol?
The canonical SMILES for tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol is Oc1c2c(c(O)c3cc4ccccc4cc13)CC2.
What is the InChIKey of tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol?
The InChIKey is VAFMXMHFIPXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-15-11-5-6-12(11)16(18)14-8-10-4-2-1-3-9(10)7-13(14)15/h1-4,7-8,17-18H,5-6H2.
What are the key properties of tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol?
tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol has a molecular weight of 236.27 g/mol, XLogP of 3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol is sourced from PubChem (CID 71321539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).