1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene

C15H14BrFO2 — CID 104792542

IUPAC1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
SMILESCOc1cccc(COc2ccc(CBr)cc2)c1F
InChIInChI=1S/C15H14BrFO2/c1-18-14-4-2-3-12(15(14)17)10-19-13-7-5-11(9-16)6-8-13/h2-8H,9-10H2,1H3
InChIKeyMVWQCKSCGBMFMK-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.31
Rot. Bonds5

About 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene

1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene (PubChem CID 104792542) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
PubChem CID104792542
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
SMILESCOc1cccc(COc2ccc(CBr)cc2)c1F
InChIInChI=1S/C15H14BrFO2/c1-18-14-4-2-3-12(15(14)17)10-19-13-7-5-11(9-16)6-8-13/h2-8H,9-10H2,1H3
InChIKeyMVWQCKSCGBMFMK-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
CID 104792506
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
1-[[3-(3-chloroprop-1-ynyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104794301
2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
CID 106500786
[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene?
The IUPAC name of 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene (CID 104792542) is 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene.
What is the SMILES notation for 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene?
The canonical SMILES for 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene is COc1cccc(COc2ccc(CBr)cc2)c1F.
What is the InChIKey of 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene?
The InChIKey is MVWQCKSCGBMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-18-14-4-2-3-12(15(14)17)10-19-13-7-5-11(9-16)6-8-13/h2-8H,9-10H2,1H3.
What are the key properties of 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene?
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene has a molecular weight of 325.18 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene is sourced from PubChem (CID 104792542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).