5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol

C14H20O — CID 21151081

IUPAC5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
SMILESOc1cccc2c1CCCCCCCC2
InChIInChI=1S/C14H20O/c15-14-11-7-9-12-8-5-3-1-2-4-6-10-13(12)14/h7,9,11,15H,1-6,8,10H2
InChIKeyITRKNESUCIZLOS-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.83
Rot. Bonds

About 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol

5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol (PubChem CID 21151081) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol.

Molecular Properties

Compound Name5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
PubChem CID21151081
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
SMILESOc1cccc2c1CCCCCCCC2
InChIInChI=1S/C14H20O/c15-14-11-7-9-12-8-5-3-1-2-4-6-10-13(12)14/h7,9,11,15H,1-6,8,10H2
InChIKeyITRKNESUCIZLOS-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol?
The IUPAC name of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol (CID 21151081) is 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol.
What is the SMILES notation for 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol?
The canonical SMILES for 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol is Oc1cccc2c1CCCCCCCC2.
What is the InChIKey of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol?
The InChIKey is ITRKNESUCIZLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c15-14-11-7-9-12-8-5-3-1-2-4-6-10-13(12)14/h7,9,11,15H,1-6,8,10H2.
What are the key properties of 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol?
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol has a molecular weight of 204.31 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol is sourced from PubChem (CID 21151081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).