7,9a-dihydro-4aH-benzo[7]annulen-7-ol

C11H12O — CID 163766491

IUPAC7,9a-dihydro-4aH-benzo[7]annulen-7-ol
SMILESOC1C=CC2C=CC=CC2C=C1
InChIInChI=1S/C11H12O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-12H
InChIKeyMCSMCPQCISMVJS-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.83
Rot. Bonds

About 7,9a-dihydro-4aH-benzo[7]annulen-7-ol

7,9a-dihydro-4aH-benzo[7]annulen-7-ol (PubChem CID 163766491) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 7,9a-dihydro-4aH-benzo[7]annulen-7-ol.

Molecular Properties

Compound Name7,9a-dihydro-4aH-benzo[7]annulen-7-ol
PubChem CID163766491
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name7,9a-dihydro-4aH-benzo[7]annulen-7-ol
SMILESOC1C=CC2C=CC=CC2C=C1
InChIInChI=1S/C11H12O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-12H
InChIKeyMCSMCPQCISMVJS-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxycyclohexa-2,5-dien-1-olate
CID 20739151
1-[(1S,6R)-9-bicyclo[4.2.1]nona-2,4,7-trienyl]ethanone
CID 15577447
(1R,6R)-6-butylcycloocta-2,4,7-trien-1-ol
CID 71416520
5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol
CID 68750664
(6R)-6-hydroxycyclohexa-2,4-dien-1-one
CID 122227918
(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
CID 121002324
4-cyclohepta-2,4,6-trien-1-ylpiperidine
CID 163709485
5-cyclopentylcyclopenta-1,3-diene;diiodotitanium
CID 174711329
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
2-cyclopenta-2,4-dien-1-ylpropan-2-ol
CID 12574784
2,2-dimethylcyclohepta-4,6-diene-1,3-diol
CID 130145484
(4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium
CID 101423418

Frequently Asked Questions

What is the IUPAC name of 7,9a-dihydro-4aH-benzo[7]annulen-7-ol?
The IUPAC name of 7,9a-dihydro-4aH-benzo[7]annulen-7-ol (CID 163766491) is 7,9a-dihydro-4aH-benzo[7]annulen-7-ol.
What is the SMILES notation for 7,9a-dihydro-4aH-benzo[7]annulen-7-ol?
The canonical SMILES for 7,9a-dihydro-4aH-benzo[7]annulen-7-ol is OC1C=CC2C=CC=CC2C=C1.
What is the InChIKey of 7,9a-dihydro-4aH-benzo[7]annulen-7-ol?
The InChIKey is MCSMCPQCISMVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-12H.
What are the key properties of 7,9a-dihydro-4aH-benzo[7]annulen-7-ol?
7,9a-dihydro-4aH-benzo[7]annulen-7-ol has a molecular weight of 160.22 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9a-dihydro-4aH-benzo[7]annulen-7-ol is sourced from PubChem (CID 163766491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).