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

C15H13BrF2O — CID 112614225

IUPAC1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
SMILESCc1cccc(CBr)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2O/c1-10-4-2-5-11(8-16)15(10)19-9-12-6-3-7-13(17)14(12)18/h2-7H,8-9H2,1H3
InChIKeyKSMNYBAYDVKSRB-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.75
Rot. Bonds4

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

1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene (PubChem CID 112614225) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
PubChem CID112614225
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
SMILESCc1cccc(CBr)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2O/c1-10-4-2-5-11(8-16)15(10)19-9-12-6-3-7-13(17)14(12)18/h2-7H,8-9H2,1H3
InChIKeyKSMNYBAYDVKSRB-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.75
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

1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
CID 43659013
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
1-(bromomethyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 115956849
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene?
The IUPAC name of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene (CID 112614225) is 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene is Cc1cccc(CBr)c1OCc1cccc(F)c1F.
What is the InChIKey of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene?
The InChIKey is KSMNYBAYDVKSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-10-4-2-5-11(8-16)15(10)19-9-12-6-3-7-13(17)14(12)18/h2-7H,8-9H2,1H3.
What are the key properties of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene?
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene has a molecular weight of 327.17 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene is sourced from PubChem (CID 112614225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).