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

C14H12BrFO — CID 90051014

IUPAC2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)c(CBr)c1
InChIInChI=1S/C14H12BrFO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyCDNTXSWHWGBEDX-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.30
Rot. Bonds4

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

2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene (PubChem CID 90051014) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
PubChem CID90051014
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)c(CBr)c1
InChIInChI=1S/C14H12BrFO/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyCDNTXSWHWGBEDX-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 43141601
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene
CID 134377917
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
CID 91468453
CID 91468453
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
CID 107699186
4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82919067

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene?
The IUPAC name of 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene (CID 90051014) is 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene is Fc1ccc(OCc2ccccc2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene?
The InChIKey is CDNTXSWHWGBEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/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-fluoro-1-phenylmethoxybenzene?
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene has a molecular weight of 295.15 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene is sourced from PubChem (CID 90051014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).