tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol

C16H14O — CID 54556760

IUPACtetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol
SMILESOc1cccc2c1C1CC1Cc1ccccc1-2
InChIInChI=1S/C16H14O/c17-15-7-3-6-13-12-5-2-1-4-10(12)8-11-9-14(11)16(13)15/h1-7,11,14,17H,8-9H2
InChIKeyZNSAKUPJVUJNID-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.72
Rot. Bonds

About tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol

tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol (PubChem CID 54556760) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol.

Molecular Properties

Compound Nametetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol
PubChem CID54556760
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Nametetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol
SMILESOc1cccc2c1C1CC1Cc1ccccc1-2
InChIInChI=1S/C16H14O/c17-15-7-3-6-13-12-5-2-1-4-10(12)8-11-9-14(11)16(13)15/h1-7,11,14,17H,8-9H2
InChIKeyZNSAKUPJVUJNID-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol?
The IUPAC name of tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol (CID 54556760) is tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol.
What is the SMILES notation for tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol?
The canonical SMILES for tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol is Oc1cccc2c1C1CC1Cc1ccccc1-2.
What is the InChIKey of tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol?
The InChIKey is ZNSAKUPJVUJNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c17-15-7-3-6-13-12-5-2-1-4-10(12)8-11-9-14(11)16(13)15/h1-7,11,14,17H,8-9H2.
What are the key properties of tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol?
tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol has a molecular weight of 222.29 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.4.0.02,4.06,11]hexadeca-1(12),6,8,10,13,15-hexaen-16-ol is sourced from PubChem (CID 54556760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).