4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol

C17H16O2 — CID 15267343

IUPAC4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
SMILESOc1cc(-c2ccccc2)c(O)c2c1C1CCC2C1
InChIInChI=1S/C17H16O2/c18-14-9-13(10-4-2-1-3-5-10)17(19)16-12-7-6-11(8-12)15(14)16/h1-5,9,11-12,18-19H,6-8H2
InChIKeyTYHDUCSLVKMQTJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.13
Rot. Bonds1

About 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol

4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol (PubChem CID 15267343) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol.

Molecular Properties

Compound Name4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
PubChem CID15267343
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
SMILESOc1cc(-c2ccccc2)c(O)c2c1C1CCC2C1
InChIInChI=1S/C17H16O2/c18-14-9-13(10-4-2-1-3-5-10)17(19)16-12-7-6-11(8-12)15(14)16/h1-5,9,11-12,18-19H,6-8H2
InChIKeyTYHDUCSLVKMQTJ-UHFFFAOYSA-N
XLogP4.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Avarol
CID 72185
Xibornol
CID 76967262
1,1'-Spirobi(1H-indene)-6,6'-diol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-
CID 74071
Phytonadiol
CID 5280585
Phytylplastoquinol
CID 71768102
2-(3-hydroxyphenyl)-1,2''-spirobi[1H-indene]-5-ol
CID 9901869
2-(4-hydroxyphenyl)-1,2''-spirobi[1H-indene]-5-ol
CID 9945207
2-(3-hydroxyphenyl)-1,2''-spirobi[1H-indene]-6-ol
CID 10131379
2-phenyl-1,2''-spirobi[1H-indene]-5''-ol
CID 12133211
2,5-Dibenzylbenzene-1,4-diol
CID 258003
Juncusol
CID 72740
2,3-Dimethyl-6-phytylhydroquinone
CID 23724602

Frequently Asked Questions

What is the IUPAC name of 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol?
The IUPAC name of 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol (CID 15267343) is 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol.
What is the SMILES notation for 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol?
The canonical SMILES for 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol is Oc1cc(-c2ccccc2)c(O)c2c1C1CCC2C1.
What is the InChIKey of 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol?
The InChIKey is TYHDUCSLVKMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-14-9-13(10-4-2-1-3-5-10)17(19)16-12-7-6-11(8-12)15(14)16/h1-5,9,11-12,18-19H,6-8H2.
What are the key properties of 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol?
4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol has a molecular weight of 252.31 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol is sourced from PubChem (CID 15267343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).