1H-benzo[7]annulene-1,5-diol

C11H10O2 — CID 146382501

IUPAC1H-benzo[7]annulene-1,5-diol
SMILESOC1=CC=CC=C2C1=CC=CC2O
InChIInChI=1S/C11H10O2/c12-10-6-2-1-4-8-9(10)5-3-7-11(8)13/h1-7,11-13H
InChIKeyQWXUSFOQSLQEEJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.78
Rot. Bonds

About 1H-benzo[7]annulene-1,5-diol

1H-benzo[7]annulene-1,5-diol (PubChem CID 146382501) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1H-benzo[7]annulene-1,5-diol.

Molecular Properties

Compound Name1H-benzo[7]annulene-1,5-diol
PubChem CID146382501
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1H-benzo[7]annulene-1,5-diol
SMILESOC1=CC=CC=C2C1=CC=CC2O
InChIInChI=1S/C11H10O2/c12-10-6-2-1-4-8-9(10)5-3-7-11(8)13/h1-7,11-13H
InChIKeyQWXUSFOQSLQEEJ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-benzo[7]annulene-1-carboxylic acid
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CID 91554041

Frequently Asked Questions

What is the IUPAC name of 1H-benzo[7]annulene-1,5-diol?
The IUPAC name of 1H-benzo[7]annulene-1,5-diol (CID 146382501) is 1H-benzo[7]annulene-1,5-diol.
What is the SMILES notation for 1H-benzo[7]annulene-1,5-diol?
The canonical SMILES for 1H-benzo[7]annulene-1,5-diol is OC1=CC=CC=C2C1=CC=CC2O.
What is the InChIKey of 1H-benzo[7]annulene-1,5-diol?
The InChIKey is QWXUSFOQSLQEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-10-6-2-1-4-8-9(10)5-3-7-11(8)13/h1-7,11-13H.
What are the key properties of 1H-benzo[7]annulene-1,5-diol?
1H-benzo[7]annulene-1,5-diol has a molecular weight of 174.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[7]annulene-1,5-diol is sourced from PubChem (CID 146382501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).