6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol

C16H18N2O2 — CID 102192886

IUPAC6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol
SMILESCC1(O)Nc2ccccc2C(C)(O)Nc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-15(19)11-7-3-5-9-13(11)18-16(2,20)12-8-4-6-10-14(12)17-15/h3-10,17-20H,1-2H3
InChIKeyOTSOQAVHZSQZQD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.55
Rot. Bonds

About 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol

6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol (PubChem CID 102192886) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol.

Molecular Properties

Compound Name6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol
PubChem CID102192886
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol
SMILESCC1(O)Nc2ccccc2C(C)(O)Nc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-15(19)11-7-3-5-9-13(11)18-16(2,20)12-8-4-6-10-14(12)17-15/h3-10,17-20H,1-2H3
InChIKeyOTSOQAVHZSQZQD-UHFFFAOYSA-N
XLogP2.55
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol?
The IUPAC name of 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol (CID 102192886) is 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol.
What is the SMILES notation for 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol?
The canonical SMILES for 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol is CC1(O)Nc2ccccc2C(C)(O)Nc2ccccc21.
What is the InChIKey of 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol?
The InChIKey is OTSOQAVHZSQZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-15(19)11-7-3-5-9-13(11)18-16(2,20)12-8-4-6-10-14(12)17-15/h3-10,17-20H,1-2H3.
What are the key properties of 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol?
6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol has a molecular weight of 270.33 g/mol, XLogP of 2.55, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-diol is sourced from PubChem (CID 102192886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).