tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol

C16H12O — CID 77156845

IUPACtricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol
SMILESOc1cccc2c1=CC=CC=c1ccccc1=2
InChIInChI=1S/C16H12O/c17-16-11-5-10-14-13-8-3-1-6-12(13)7-2-4-9-15(14)16/h1-11,17H
InChIKeyJQPWNTWETCMRAA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.81
Rot. Bonds

About tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol

tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol (PubChem CID 77156845) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol.

Molecular Properties

Compound Nametricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol
PubChem CID77156845
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Nametricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol
SMILESOc1cccc2c1=CC=CC=c1ccccc1=2
InChIInChI=1S/C16H12O/c17-16-11-5-10-14-13-8-3-1-6-12(13)7-2-4-9-15(14)16/h1-11,17H
InChIKeyJQPWNTWETCMRAA-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol?
The IUPAC name of tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol (CID 77156845) is tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol.
What is the SMILES notation for tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol?
The canonical SMILES for tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol is Oc1cccc2c1=CC=CC=c1ccccc1=2.
What is the InChIKey of tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol?
The InChIKey is JQPWNTWETCMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c17-16-11-5-10-14-13-8-3-1-6-12(13)7-2-4-9-15(14)16/h1-11,17H.
What are the key properties of tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol?
tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol has a molecular weight of 220.27 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaen-6-ol is sourced from PubChem (CID 77156845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).