1,3-dimethyl-2-benzoborinine

C11H11B — CID 163623590

IUPAC1,3-dimethyl-2-benzoborinine
SMILESCc1bc(C)c2ccccc2c1
InChIInChI=1S/C11H11B/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-7H,1-2H3
InChIKeyHQFGONQKKGYOJN-UHFFFAOYSA-N
MW154.02 g/mol
LogP2.79
Rot. Bonds

About 1,3-dimethyl-2-benzoborinine

1,3-dimethyl-2-benzoborinine (PubChem CID 163623590) has the molecular formula C11H11B and a molecular weight of 154.02 g/mol. Its IUPAC name is 1,3-dimethyl-2-benzoborinine.

Molecular Properties

Compound Name1,3-dimethyl-2-benzoborinine
PubChem CID163623590
Molecular FormulaC11H11B
Molecular Weight154.02 g/mol
Exact Mass154.10
IUPAC Name1,3-dimethyl-2-benzoborinine
SMILESCc1bc(C)c2ccccc2c1
InChIInChI=1S/C11H11B/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-7H,1-2H3
InChIKeyHQFGONQKKGYOJN-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
1-methyl-2-benzoborinine
CID 143292275
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
1-methyl-2-benzoborinine;propane
CID 143292274
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
3-methylisothiochromen-1-one
CID 14814143
ethane;methane;9-methylphenanthrene
CID 144916914
ethane;methane;9-methylphenanthrene
CID 169171289
1,3-dimethylnaphthalene;ethane
CID 145447624
9-anthracen-9-ylanthracene;toluene
CID 86148014

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-benzoborinine?
The IUPAC name of 1,3-dimethyl-2-benzoborinine (CID 163623590) is 1,3-dimethyl-2-benzoborinine.
What is the SMILES notation for 1,3-dimethyl-2-benzoborinine?
The canonical SMILES for 1,3-dimethyl-2-benzoborinine is Cc1bc(C)c2ccccc2c1.
What is the InChIKey of 1,3-dimethyl-2-benzoborinine?
The InChIKey is HQFGONQKKGYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11B/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-7H,1-2H3.
What are the key properties of 1,3-dimethyl-2-benzoborinine?
1,3-dimethyl-2-benzoborinine has a molecular weight of 154.02 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-benzoborinine is sourced from PubChem (CID 163623590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).