1-bromo-4-methoxy-2-(trityloxymethyl)benzene

C27H23BrO2 — CID 11282571

IUPAC1-bromo-4-methoxy-2-(trityloxymethyl)benzene
SMILESCOc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H23BrO2/c1-29-25-17-18-26(28)21(19-25)20-30-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3
InChIKeyKIBRMQOXZUDBAD-UHFFFAOYSA-N
MW459.38 g/mol
LogP6.97
Rot. Bonds7

About 1-bromo-4-methoxy-2-(trityloxymethyl)benzene

1-bromo-4-methoxy-2-(trityloxymethyl)benzene (PubChem CID 11282571) has the molecular formula C27H23BrO2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-(trityloxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-(trityloxymethyl)benzene
PubChem CID11282571
Molecular FormulaC27H23BrO2
Molecular Weight459.38 g/mol
Exact Mass458.09
IUPAC Name1-bromo-4-methoxy-2-(trityloxymethyl)benzene
SMILESCOc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H23BrO2/c1-29-25-17-18-26(28)21(19-25)20-30-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3
InChIKeyKIBRMQOXZUDBAD-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-(trityloxymethyl)benzene?
The IUPAC name of 1-bromo-4-methoxy-2-(trityloxymethyl)benzene (CID 11282571) is 1-bromo-4-methoxy-2-(trityloxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-methoxy-2-(trityloxymethyl)benzene?
The canonical SMILES for 1-bromo-4-methoxy-2-(trityloxymethyl)benzene is COc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-bromo-4-methoxy-2-(trityloxymethyl)benzene?
The InChIKey is KIBRMQOXZUDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrO2/c1-29-25-17-18-26(28)21(19-25)20-30-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3.
What are the key properties of 1-bromo-4-methoxy-2-(trityloxymethyl)benzene?
1-bromo-4-methoxy-2-(trityloxymethyl)benzene has a molecular weight of 459.38 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2-(trityloxymethyl)benzene is sourced from PubChem (CID 11282571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).