1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone

C16H15BO — CID 143970128

IUPAC1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone
SMILESCC(=O)c1cbcc(/C=C/c2ccccc2C)c1
InChIInChI=1S/C16H15BO/c1-12-5-3-4-6-15(12)8-7-14-9-16(13(2)18)11-17-10-14/h3-11H,1-2H3/b8-7+
InChIKeyIBINGNKACYTHMR-BQYQJAHWSA-N
MW234.11 g/mol
LogP3.71
Rot. Bonds3

About 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone

1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone (PubChem CID 143970128) has the molecular formula C16H15BO and a molecular weight of 234.11 g/mol. Its IUPAC name is 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone
PubChem CID143970128
Molecular FormulaC16H15BO
Molecular Weight234.11 g/mol
Exact Mass234.12
IUPAC Name1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone
SMILESCC(=O)c1cbcc(/C=C/c2ccccc2C)c1
InChIInChI=1S/C16H15BO/c1-12-5-3-4-6-15(12)8-7-14-9-16(13(2)18)11-17-10-14/h3-11H,1-2H3/b8-7+
InChIKeyIBINGNKACYTHMR-BQYQJAHWSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline
CID 137498181
2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 156631017
3-[2-(2-methylphenyl)ethenyl]aniline
CID 86115385
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
3-[(E)-2-(4-hydroxy-2-methylphenyl)ethenyl]benzoic acid
CID 155479639
4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
CID 58868755
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone
CID 101223052
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 10604517

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone?
The IUPAC name of 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone (CID 143970128) is 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone?
The canonical SMILES for 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone is CC(=O)c1cbcc(/C=C/c2ccccc2C)c1.
What is the InChIKey of 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone?
The InChIKey is IBINGNKACYTHMR-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15BO/c1-12-5-3-4-6-15(12)8-7-14-9-16(13(2)18)11-17-10-14/h3-11H,1-2H3/b8-7+.
What are the key properties of 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone?
1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone has a molecular weight of 234.11 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone is sourced from PubChem (CID 143970128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).