9H-benzo[7]annulene-5,7-diol

C11H10O2 — CID 143638866

IUPAC9H-benzo[7]annulene-5,7-diol
SMILESOC1=CCc2ccccc2C(O)=C1
InChIInChI=1S/C11H10O2/c12-9-6-5-8-3-1-2-4-10(8)11(13)7-9/h1-4,6-7,12-13H,5H2
InChIKeyWTVMFYDCCDYFNZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.58
Rot. Bonds

About 9H-benzo[7]annulene-5,7-diol

9H-benzo[7]annulene-5,7-diol (PubChem CID 143638866) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 9H-benzo[7]annulene-5,7-diol.

Molecular Properties

Compound Name9H-benzo[7]annulene-5,7-diol
PubChem CID143638866
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name9H-benzo[7]annulene-5,7-diol
SMILESOC1=CCc2ccccc2C(O)=C1
InChIInChI=1S/C11H10O2/c12-9-6-5-8-3-1-2-4-10(8)11(13)7-9/h1-4,6-7,12-13H,5H2
InChIKeyWTVMFYDCCDYFNZ-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-benzo[7]annulene-5,7-diol?
The IUPAC name of 9H-benzo[7]annulene-5,7-diol (CID 143638866) is 9H-benzo[7]annulene-5,7-diol.
What is the SMILES notation for 9H-benzo[7]annulene-5,7-diol?
The canonical SMILES for 9H-benzo[7]annulene-5,7-diol is OC1=CCc2ccccc2C(O)=C1.
What is the InChIKey of 9H-benzo[7]annulene-5,7-diol?
The InChIKey is WTVMFYDCCDYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-9-6-5-8-3-1-2-4-10(8)11(13)7-9/h1-4,6-7,12-13H,5H2.
What are the key properties of 9H-benzo[7]annulene-5,7-diol?
9H-benzo[7]annulene-5,7-diol has a molecular weight of 174.20 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-benzo[7]annulene-5,7-diol is sourced from PubChem (CID 143638866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).