4H-4-benzazonin-9-ol

C12H11NO — CID 70556222

IUPAC4H-4-benzazonin-9-ol
SMILESOc1ccc2ccc[nH]cccc2c1
InChIInChI=1S/C12H11NO/c14-12-6-5-10-3-1-7-13-8-2-4-11(10)9-12/h1-9,13-14H/b7-1-,8-2-,10-3-,11-4-
InChIKeyFUPVYIDKMOOGDS-ACOIVEAWSA-N
MW185.23 g/mol
LogP3.00
Rot. Bonds

About 4H-4-benzazonin-9-ol

4H-4-benzazonin-9-ol (PubChem CID 70556222) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4H-4-benzazonin-9-ol.

Molecular Properties

Compound Name4H-4-benzazonin-9-ol
PubChem CID70556222
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4H-4-benzazonin-9-ol
SMILESOc1ccc2ccc[nH]cccc2c1
InChIInChI=1S/C12H11NO/c14-12-6-5-10-3-1-7-13-8-2-4-11(10)9-12/h1-9,13-14H/b7-1-,8-2-,10-3-,11-4-
InChIKeyFUPVYIDKMOOGDS-ACOIVEAWSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-4-benzazonin-9-ol?
The IUPAC name of 4H-4-benzazonin-9-ol (CID 70556222) is 4H-4-benzazonin-9-ol.
What is the SMILES notation for 4H-4-benzazonin-9-ol?
The canonical SMILES for 4H-4-benzazonin-9-ol is Oc1ccc2ccc[nH]cccc2c1.
What is the InChIKey of 4H-4-benzazonin-9-ol?
The InChIKey is FUPVYIDKMOOGDS-ACOIVEAWSA-N. The full InChI is InChI=1S/C12H11NO/c14-12-6-5-10-3-1-7-13-8-2-4-11(10)9-12/h1-9,13-14H/b7-1-,8-2-,10-3-,11-4-.
What are the key properties of 4H-4-benzazonin-9-ol?
4H-4-benzazonin-9-ol has a molecular weight of 185.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-4-benzazonin-9-ol is sourced from PubChem (CID 70556222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).