(2-ethyl-4-methylphenyl)-triphenylboranuide

C27H26B- — CID 19027390

IUPAC(2-ethyl-4-methylphenyl)-triphenylboranuide
SMILESCCc1cc(C)ccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26B/c1-3-23-21-22(2)19-20-27(23)28(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-21H,3H2,1-2H3/q-1
InChIKeyGZMZLYQHIFDDND-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.93
Rot. Bonds5

About (2-ethyl-4-methylphenyl)-triphenylboranuide

(2-ethyl-4-methylphenyl)-triphenylboranuide (PubChem CID 19027390) has the molecular formula C27H26B- and a molecular weight of 361.32 g/mol. Its IUPAC name is (2-ethyl-4-methylphenyl)-triphenylboranuide.

Molecular Properties

Compound Name(2-ethyl-4-methylphenyl)-triphenylboranuide
PubChem CID19027390
Molecular FormulaC27H26B-
Molecular Weight361.32 g/mol
Exact Mass361.21
IUPAC Name(2-ethyl-4-methylphenyl)-triphenylboranuide
SMILESCCc1cc(C)ccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26B/c1-3-23-21-22(2)19-20-27(23)28(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-21H,3H2,1-2H3/q-1
InChIKeyGZMZLYQHIFDDND-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,2-diethyl-4-methylbenzene;methane
CID 174446118
2,7-dimethyl-1-propylquinolin-1-ium;tetraphenylboranuide
CID 19877864
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene
CID 145419397
2-ethyl-4-methylbenzoic acid
CID 19886963
2-ethyl-4-methylbenzonitrile;methane;propane;toluene
CID 159408575
1,2-diethylbenzene;hydrobromide
CID 174973685
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methylphenyl)-triphenylboranuide?
The IUPAC name of (2-ethyl-4-methylphenyl)-triphenylboranuide (CID 19027390) is (2-ethyl-4-methylphenyl)-triphenylboranuide.
What is the SMILES notation for (2-ethyl-4-methylphenyl)-triphenylboranuide?
The canonical SMILES for (2-ethyl-4-methylphenyl)-triphenylboranuide is CCc1cc(C)ccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-ethyl-4-methylphenyl)-triphenylboranuide?
The InChIKey is GZMZLYQHIFDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26B/c1-3-23-21-22(2)19-20-27(23)28(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-21H,3H2,1-2H3/q-1.
What are the key properties of (2-ethyl-4-methylphenyl)-triphenylboranuide?
(2-ethyl-4-methylphenyl)-triphenylboranuide has a molecular weight of 361.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methylphenyl)-triphenylboranuide is sourced from PubChem (CID 19027390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).