5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol

C11H14O — CID 68750664

IUPAC5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol
SMILESOC1CC=CC2C=CC=CC2C1
InChIInChI=1S/C11H14O/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-6,9-12H,7-8H2
InChIKeyFQOUXUQFMCWZHZ-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.06
Rot. Bonds

About 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol

5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol (PubChem CID 68750664) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol.

Molecular Properties

Compound Name5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol
PubChem CID68750664
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol
SMILESOC1CC=CC2C=CC=CC2C1
InChIInChI=1S/C11H14O/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-6,9-12H,7-8H2
InChIKeyFQOUXUQFMCWZHZ-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol?
The IUPAC name of 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol (CID 68750664) is 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol.
What is the SMILES notation for 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol?
The canonical SMILES for 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol is OC1CC=CC2C=CC=CC2C1.
What is the InChIKey of 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol?
The InChIKey is FQOUXUQFMCWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-6,9-12H,7-8H2.
What are the key properties of 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol?
5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol has a molecular weight of 162.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol is sourced from PubChem (CID 68750664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).