2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene

C14H12BrClO — CID 22105553

IUPAC2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene
SMILESClc1ccc(OCc2ccccc2)c(CBr)c1
InChIInChI=1S/C14H12BrClO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeySIDZTXYHXWTXTJ-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.81
Rot. Bonds4

About 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene

2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene (PubChem CID 22105553) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene
PubChem CID22105553
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene
SMILESClc1ccc(OCc2ccccc2)c(CBr)c1
InChIInChI=1S/C14H12BrClO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeySIDZTXYHXWTXTJ-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene (CID 22105553) is 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene is Clc1ccc(OCc2ccccc2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene?
The InChIKey is SIDZTXYHXWTXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene?
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene has a molecular weight of 311.61 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene is sourced from PubChem (CID 22105553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).