[3-bromopropoxy(diphenyl)methyl]benzene

C22H21BrO — CID 10385165

IUPAC[3-bromopropoxy(diphenyl)methyl]benzene
SMILESBrCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrO/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyKVEYKXOUXTYREU-UHFFFAOYSA-N
MW381.31 g/mol
LogP5.78
Rot. Bonds7

About [3-bromopropoxy(diphenyl)methyl]benzene

[3-bromopropoxy(diphenyl)methyl]benzene (PubChem CID 10385165) has the molecular formula C22H21BrO and a molecular weight of 381.31 g/mol. Its IUPAC name is [3-bromopropoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[3-bromopropoxy(diphenyl)methyl]benzene
PubChem CID10385165
Molecular FormulaC22H21BrO
Molecular Weight381.31 g/mol
Exact Mass380.08
IUPAC Name[3-bromopropoxy(diphenyl)methyl]benzene
SMILESBrCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrO/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
InChIKeyKVEYKXOUXTYREU-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
Bis(diphenylmethyl) ether
CID 11323
(S)-Glycidyl Trityl Ether
CID 7168113
Bis[bis(2-methylphenyl)methyl] ether
CID 4248814
2,3-Diphenyl-1,4-dioxane
CID 271103
2,2-Diphenyloxirane
CID 93564
(R)-Glycidyl Trityl Ether
CID 2734442
Benzyl 3-Bromopropyl Ether
CID 2776064
Benzyl 6-Bromohexyl Ether
CID 2784764

Frequently Asked Questions

What is the IUPAC name of [3-bromopropoxy(diphenyl)methyl]benzene?
The IUPAC name of [3-bromopropoxy(diphenyl)methyl]benzene (CID 10385165) is [3-bromopropoxy(diphenyl)methyl]benzene.
What is the SMILES notation for [3-bromopropoxy(diphenyl)methyl]benzene?
The canonical SMILES for [3-bromopropoxy(diphenyl)methyl]benzene is BrCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-bromopropoxy(diphenyl)methyl]benzene?
The InChIKey is KVEYKXOUXTYREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrO/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2.
What are the key properties of [3-bromopropoxy(diphenyl)methyl]benzene?
[3-bromopropoxy(diphenyl)methyl]benzene has a molecular weight of 381.31 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromopropoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 10385165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).