2-(bromomethyl)-4-phenylbenzaldehyde

C14H11BrO — CID 89003019

IUPAC2-(bromomethyl)-4-phenylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)cc1CBr
InChIInChI=1S/C14H11BrO/c15-9-14-8-12(6-7-13(14)10-16)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyJOESRZWRQYUODP-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.06
Rot. Bonds3

About 2-(bromomethyl)-4-phenylbenzaldehyde

2-(bromomethyl)-4-phenylbenzaldehyde (PubChem CID 89003019) has the molecular formula C14H11BrO and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-(bromomethyl)-4-phenylbenzaldehyde.

Molecular Properties

Compound Name2-(bromomethyl)-4-phenylbenzaldehyde
PubChem CID89003019
Molecular FormulaC14H11BrO
Molecular Weight275.14 g/mol
Exact Mass274.00
IUPAC Name2-(bromomethyl)-4-phenylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)cc1CBr
InChIInChI=1S/C14H11BrO/c15-9-14-8-12(6-7-13(14)10-16)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyJOESRZWRQYUODP-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-phenylbenzaldehyde?
The IUPAC name of 2-(bromomethyl)-4-phenylbenzaldehyde (CID 89003019) is 2-(bromomethyl)-4-phenylbenzaldehyde.
What is the SMILES notation for 2-(bromomethyl)-4-phenylbenzaldehyde?
The canonical SMILES for 2-(bromomethyl)-4-phenylbenzaldehyde is O=Cc1ccc(-c2ccccc2)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-phenylbenzaldehyde?
The InChIKey is JOESRZWRQYUODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c15-9-14-8-12(6-7-13(14)10-16)11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 2-(bromomethyl)-4-phenylbenzaldehyde?
2-(bromomethyl)-4-phenylbenzaldehyde has a molecular weight of 275.14 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-phenylbenzaldehyde is sourced from PubChem (CID 89003019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).