2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol

C17H16O — CID 155222081

IUPAC2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol
SMILESOc1ccccc1C1=Cc2ccccc2CCC1
InChIInChI=1S/C17H16O/c18-17-11-4-3-10-16(17)15-9-5-8-13-6-1-2-7-14(13)12-15/h1-4,6-7,10-12,18H,5,8-9H2
InChIKeyVKZKRELLUSNILU-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.27
Rot. Bonds1

About 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol

2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol (PubChem CID 155222081) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol.

Molecular Properties

Compound Name2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol
PubChem CID155222081
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol
SMILESOc1ccccc1C1=Cc2ccccc2CCC1
InChIInChI=1S/C17H16O/c18-17-11-4-3-10-16(17)15-9-5-8-13-6-1-2-7-14(13)12-15/h1-4,6-7,10-12,18H,5,8-9H2
InChIKeyVKZKRELLUSNILU-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol?
The IUPAC name of 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol (CID 155222081) is 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol.
What is the SMILES notation for 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol?
The canonical SMILES for 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol is Oc1ccccc1C1=Cc2ccccc2CCC1.
What is the InChIKey of 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol?
The InChIKey is VKZKRELLUSNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-17-11-4-3-10-16(17)15-9-5-8-13-6-1-2-7-14(13)12-15/h1-4,6-7,10-12,18H,5,8-9H2.
What are the key properties of 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol?
2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol has a molecular weight of 236.31 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol is sourced from PubChem (CID 155222081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).