1-(bromomethyl)-4-phenylmethoxybenzene

C14H13BrO — CID 10492756

IUPAC1-(bromomethyl)-4-phenylmethoxybenzene
SMILESBrCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyKHZAFUOYPXXJKO-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.16
Rot. Bonds4

About 1-(bromomethyl)-4-phenylmethoxybenzene

1-(bromomethyl)-4-phenylmethoxybenzene (PubChem CID 10492756) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(bromomethyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-phenylmethoxybenzene
PubChem CID10492756
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-(bromomethyl)-4-phenylmethoxybenzene
SMILESBrCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyKHZAFUOYPXXJKO-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.16
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 1-(bromomethyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(bromomethyl)-4-phenylmethoxybenzene (CID 10492756) is 1-(bromomethyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(bromomethyl)-4-phenylmethoxybenzene is BrCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-phenylmethoxybenzene?
The InChIKey is KHZAFUOYPXXJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 1-(bromomethyl)-4-phenylmethoxybenzene?
1-(bromomethyl)-4-phenylmethoxybenzene has a molecular weight of 277.16 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 10492756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).