acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol

C13H16O3 — CID 66934333

IUPACacetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol
SMILESCC(=O)O.OC1=CCCCc2ccccc21
InChIInChI=1S/C11H12O.C2H4O2/c12-11-8-4-2-6-9-5-1-3-7-10(9)11;1-2(3)4/h1,3,5,7-8,12H,2,4,6H2;1H3,(H,3,4)
InChIKeyVBUXABRLFIQPNQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.01
Rot. Bonds

About acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol

acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol (PubChem CID 66934333) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Nameacetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol
PubChem CID66934333
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameacetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol
SMILESCC(=O)O.OC1=CCCCc2ccccc21
InChIInChI=1S/C11H12O.C2H4O2/c12-11-8-4-2-6-9-5-1-3-7-10(9)11;1-2(3)4/h1,3,5,7-8,12H,2,4,6H2;1H3,(H,3,4)
InChIKeyVBUXABRLFIQPNQ-UHFFFAOYSA-N
XLogP3.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol?
The IUPAC name of acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol (CID 66934333) is acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol.
What is the SMILES notation for acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol?
The canonical SMILES for acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol is CC(=O)O.OC1=CCCCc2ccccc21.
What is the InChIKey of acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol?
The InChIKey is VBUXABRLFIQPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C2H4O2/c12-11-8-4-2-6-9-5-1-3-7-10(9)11;1-2(3)4/h1,3,5,7-8,12H,2,4,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol?
acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol has a molecular weight of 220.27 g/mol, XLogP of 3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;8,9-dihydro-7H-benzo[7]annulen-5-ol is sourced from PubChem (CID 66934333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).