CID 119080975

C21H21BNO+ — CID 119080975

IUPAC—
SMILES[B][N+](C)(C)c1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BNO/c1-23(2,22)20-16-10-9-15-19(20)21(24,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,24H,1-2H3/q+1
InChIKeyJATOVTAOGZABKT-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.62
Rot. Bonds4

About CID 119080975

CID 119080975 (PubChem CID 119080975) has the molecular formula C21H21BNO+ and a molecular weight of 314.22 g/mol.

Molecular Properties

Compound NameCID 119080975
PubChem CID119080975
Molecular FormulaC21H21BNO+
Molecular Weight314.22 g/mol
Exact Mass314.17
IUPAC Name—
SMILES[B][N+](C)(C)c1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21BNO/c1-23(2,22)20-16-10-9-15-19(20)21(24,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,24H,1-2H3/q+1
InChIKeyJATOVTAOGZABKT-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylphenyl)-diphenylmethanol
CID 139660969
3-[hydroxy(diphenyl)methyl]-1H-pyridine-2-thione
CID 15644880
sodium;hydride;triphenylmethanol
CID 174537383
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
bis[2-(dimethylamino)phenyl]-phenylmethanol
CID 18702748
diphenyl-(2,3,4-trimethylphenyl)methanol
CID 139685459
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
(4-methylnaphthalen-1-yl)-diphenylmethanol
CID 2817969
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
[4-[hydroxy-phenyl-[4-(trimethylazaniumyl)phenyl]methyl]phenyl]-trimethylazanium diperchlorate
CID 44888197
(3-methoxynaphthalen-2-yl)-diphenylmethanol
CID 135034011
4-tert-butyl-2-[5-tert-butyl-2-hydroxy-3-[hydroxy(diphenyl)methyl]phenyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 122373316

Frequently Asked Questions

What is the IUPAC name of CID 119080975?
The IUPAC name of CID 119080975 (CID 119080975) is not available.
What is the SMILES notation for CID 119080975?
The canonical SMILES for CID 119080975 is [B][N+](C)(C)c1ccccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 119080975?
The InChIKey is JATOVTAOGZABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BNO/c1-23(2,22)20-16-10-9-15-19(20)21(24,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,24H,1-2H3/q+1.
What are the key properties of CID 119080975?
CID 119080975 has a molecular weight of 314.22 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080975 is sourced from PubChem (CID 119080975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).