(4-bromophenyl)methyl formate

C8H7BrO2 — CID 10921877

IUPAC(4-bromophenyl)methyl formate
SMILESO=COCc1ccc(Br)cc1
InChIInChI=1S/C8H7BrO2/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6H,5H2
InChIKeyBDQUNNRLSQQZHK-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.12
Rot. Bonds3

About (4-bromophenyl)methyl formate

(4-bromophenyl)methyl formate (PubChem CID 10921877) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is (4-bromophenyl)methyl formate.

Molecular Properties

Compound Name(4-bromophenyl)methyl formate
PubChem CID10921877
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name(4-bromophenyl)methyl formate
SMILESO=COCc1ccc(Br)cc1
InChIInChI=1S/C8H7BrO2/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6H,5H2
InChIKeyBDQUNNRLSQQZHK-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl formate?
The IUPAC name of (4-bromophenyl)methyl formate (CID 10921877) is (4-bromophenyl)methyl formate.
What is the SMILES notation for (4-bromophenyl)methyl formate?
The canonical SMILES for (4-bromophenyl)methyl formate is O=COCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl formate?
The InChIKey is BDQUNNRLSQQZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,6H,5H2.
What are the key properties of (4-bromophenyl)methyl formate?
(4-bromophenyl)methyl formate has a molecular weight of 215.05 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl formate is sourced from PubChem (CID 10921877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).