1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene

C15H13BrF2O2 — CID 43659017

IUPAC1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cccc(CBr)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2O2/c1-19-13-7-3-4-10(8-16)15(13)20-9-11-5-2-6-12(17)14(11)18/h2-7H,8-9H2,1H3
InChIKeyLWOUKSYTKDHBLU-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.45
Rot. Bonds5

About 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene

1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene (PubChem CID 43659017) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
PubChem CID43659017
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cccc(CBr)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2O2/c1-19-13-7-3-4-10(8-16)15(13)20-9-11-5-2-6-12(17)14(11)18/h2-7H,8-9H2,1H3
InChIKeyLWOUKSYTKDHBLU-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.45
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-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
CID 43659013
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
1-(bromomethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877184
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 102856415
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 79260511

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene (CID 43659017) is 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene is COc1cccc(CBr)c1OCc1cccc(F)c1F.
What is the InChIKey of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene?
The InChIKey is LWOUKSYTKDHBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O2/c1-19-13-7-3-4-10(8-16)15(13)20-9-11-5-2-6-12(17)14(11)18/h2-7H,8-9H2,1H3.
What are the key properties of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene?
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene has a molecular weight of 343.17 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene is sourced from PubChem (CID 43659017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).