4-bromo-2-fluoro-1-phenylmethoxybenzene

C13H10BrFO — CID 18757491

IUPAC4-bromo-2-fluoro-1-phenylmethoxybenzene
SMILESFc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C13H10BrFO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyHCVUDNMNSPYSHS-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.17
Rot. Bonds3

About 4-bromo-2-fluoro-1-phenylmethoxybenzene

4-bromo-2-fluoro-1-phenylmethoxybenzene (PubChem CID 18757491) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-phenylmethoxybenzene
PubChem CID18757491
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name4-bromo-2-fluoro-1-phenylmethoxybenzene
SMILESFc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C13H10BrFO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyHCVUDNMNSPYSHS-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-phenylmethoxybenzene?
The IUPAC name of 4-bromo-2-fluoro-1-phenylmethoxybenzene (CID 18757491) is 4-bromo-2-fluoro-1-phenylmethoxybenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-phenylmethoxybenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-phenylmethoxybenzene is Fc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 4-bromo-2-fluoro-1-phenylmethoxybenzene?
The InChIKey is HCVUDNMNSPYSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-bromo-2-fluoro-1-phenylmethoxybenzene?
4-bromo-2-fluoro-1-phenylmethoxybenzene has a molecular weight of 281.12 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-phenylmethoxybenzene is sourced from PubChem (CID 18757491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).