5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol

C14H12O — CID 10330307

IUPAC5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol
SMILESOC1C#Cc2ccccc2C#CCCC1
InChIInChI=1S/C14H12O/c15-14-9-3-1-2-6-12-7-4-5-8-13(12)10-11-14/h4-5,7-8,14-15H,1,3,9H2
InChIKeyWVMVRQFAJGNBCE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.93
Rot. Bonds

About 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol

5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol (PubChem CID 10330307) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol.

Molecular Properties

Compound Name5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol
PubChem CID10330307
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol
SMILESOC1C#Cc2ccccc2C#CCCC1
InChIInChI=1S/C14H12O/c15-14-9-3-1-2-6-12-7-4-5-8-13(12)10-11-14/h4-5,7-8,14-15H,1,3,9H2
InChIKeyWVMVRQFAJGNBCE-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol?
The IUPAC name of 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol (CID 10330307) is 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol.
What is the SMILES notation for 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol?
The canonical SMILES for 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol is OC1C#Cc2ccccc2C#CCCC1.
What is the InChIKey of 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol?
The InChIKey is WVMVRQFAJGNBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-14-9-3-1-2-6-12-7-4-5-8-13(12)10-11-14/h4-5,7-8,14-15H,1,3,9H2.
What are the key properties of 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol?
5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol has a molecular weight of 196.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11,12-tetradehydro-7,8,9,10-tetrahydrobenzo[10]annulen-7-ol is sourced from PubChem (CID 10330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).