(5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol

C11H14O2 — CID 13467684

IUPAC(5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol
SMILESO[C@H]1CCCc2ccccc2[C@@H]1O
InChIInChI=1S/C11H14O2/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-13H,3,5,7H2/t10-,11-/m0/s1
InChIKeyQGVXNVFNLXEOHJ-QWRGUYRKSA-N
MW178.23 g/mol
LogP1.42
Rot. Bonds

About (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol

(5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol (PubChem CID 13467684) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol.

Molecular Properties

Compound Name(5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol
PubChem CID13467684
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol
SMILESO[C@H]1CCCc2ccccc2[C@@H]1O
InChIInChI=1S/C11H14O2/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-13H,3,5,7H2/t10-,11-/m0/s1
InChIKeyQGVXNVFNLXEOHJ-QWRGUYRKSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol?
The IUPAC name of (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol (CID 13467684) is (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol.
What is the SMILES notation for (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol?
The canonical SMILES for (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol is O[C@H]1CCCc2ccccc2[C@@H]1O.
What is the InChIKey of (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol?
The InChIKey is QGVXNVFNLXEOHJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-13H,3,5,7H2/t10-,11-/m0/s1.
What are the key properties of (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol?
(5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol has a molecular weight of 178.23 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol is sourced from PubChem (CID 13467684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).