2-(2-methoxyphenyl)borinine

C12H11BO — CID 174680579

IUPAC2-(2-methoxyphenyl)borinine
SMILESCOc1ccccc1-c1bcccc1
InChIInChI=1S/C12H11BO/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-9H,1H3
InChIKeyWCGQEOIYIFRVJY-UHFFFAOYSA-N
MW182.03 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-methoxyphenyl)borinine

2-(2-methoxyphenyl)borinine (PubChem CID 174680579) has the molecular formula C12H11BO and a molecular weight of 182.03 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)borinine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)borinine
PubChem CID174680579
Molecular FormulaC12H11BO
Molecular Weight182.03 g/mol
Exact Mass182.09
IUPAC Name2-(2-methoxyphenyl)borinine
SMILESCOc1ccccc1-c1bcccc1
InChIInChI=1S/C12H11BO/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-9H,1H3
InChIKeyWCGQEOIYIFRVJY-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.03
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)borinine?
The IUPAC name of 2-(2-methoxyphenyl)borinine (CID 174680579) is 2-(2-methoxyphenyl)borinine.
What is the SMILES notation for 2-(2-methoxyphenyl)borinine?
The canonical SMILES for 2-(2-methoxyphenyl)borinine is COc1ccccc1-c1bcccc1.
What is the InChIKey of 2-(2-methoxyphenyl)borinine?
The InChIKey is WCGQEOIYIFRVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)borinine?
2-(2-methoxyphenyl)borinine has a molecular weight of 182.03 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)borinine is sourced from PubChem (CID 174680579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).