1-(bromomethyl)-4-trityloxybenzene

C26H21BrO — CID 45102982

IUPAC1-(bromomethyl)-4-trityloxybenzene
SMILESBrCc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21BrO/c27-20-21-16-18-25(19-17-21)28-26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2
InChIKeyZKVZPPLKLCXUQA-UHFFFAOYSA-N
MW429.36 g/mol
LogP6.95
Rot. Bonds6

About 1-(bromomethyl)-4-trityloxybenzene

1-(bromomethyl)-4-trityloxybenzene (PubChem CID 45102982) has the molecular formula C26H21BrO and a molecular weight of 429.36 g/mol. Its IUPAC name is 1-(bromomethyl)-4-trityloxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-trityloxybenzene
PubChem CID45102982
Molecular FormulaC26H21BrO
Molecular Weight429.36 g/mol
Exact Mass428.08
IUPAC Name1-(bromomethyl)-4-trityloxybenzene
SMILESBrCc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21BrO/c27-20-21-16-18-25(19-17-21)28-26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2
InChIKeyZKVZPPLKLCXUQA-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.36
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Biphenylyl phenyl ether
CID 81220
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
1-Phenoxy-4-phenylbenzene
CID 77986
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
Benzene, hexadecylphenoxy-
CID 110332
Benzene, decylphenoxy-
CID 112304
1,1',1'',1'''-(1,2-Ethenediylidene)tetrakis(4-methoxybenzene)
CID 24797
Benzene, 1,1'-(1,2-ethanediyl)bis(3-phenoxy-
CID 3046200
1-(Benzyloxy)-4-(bromomethyl)benzene
CID 10492756
Deoxyriccardin C
CID 24860516
2,4-diphenyl-4H-chromene
CID 4524534
2-Naphthyl ether
CID 69183

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-trityloxybenzene?
The IUPAC name of 1-(bromomethyl)-4-trityloxybenzene (CID 45102982) is 1-(bromomethyl)-4-trityloxybenzene.
What is the SMILES notation for 1-(bromomethyl)-4-trityloxybenzene?
The canonical SMILES for 1-(bromomethyl)-4-trityloxybenzene is BrCc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-trityloxybenzene?
The InChIKey is ZKVZPPLKLCXUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrO/c27-20-21-16-18-25(19-17-21)28-26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2.
What are the key properties of 1-(bromomethyl)-4-trityloxybenzene?
1-(bromomethyl)-4-trityloxybenzene has a molecular weight of 429.36 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-trityloxybenzene is sourced from PubChem (CID 45102982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).