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

C16H15BrF2O2 — CID 43659013

IUPAC1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
SMILESCCOc1cccc(CBr)c1OCc1cccc(F)c1F
InChIInChI=1S/C16H15BrF2O2/c1-2-20-14-8-4-5-11(9-17)16(14)21-10-12-6-3-7-13(18)15(12)19/h3-8H,2,9-10H2,1H3
InChIKeyDQIWEUGOPOYOJX-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.84
Rot. Bonds6

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

1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene (PubChem CID 43659013) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
PubChem CID43659013
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene
SMILESCCOc1cccc(CBr)c1OCc1cccc(F)c1F
InChIInChI=1S/C16H15BrF2O2/c1-2-20-14-8-4-5-11(9-17)16(14)21-10-12-6-3-7-13(18)15(12)19/h3-8H,2,9-10H2,1H3
InChIKeyDQIWEUGOPOYOJX-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.84
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-methoxybenzene
CID 43659017
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene
CID 43366838
2-[[2-(bromomethyl)-6-ethoxyphenoxy]methyl]benzonitrile
CID 43366847
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
2-[2-(bromomethyl)-6-ethoxyphenoxy]acetonitrile
CID 43366835
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
[2-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046926

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene (CID 43659013) is 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene is CCOc1cccc(CBr)c1OCc1cccc(F)c1F.
What is the InChIKey of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene?
The InChIKey is DQIWEUGOPOYOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c1-2-20-14-8-4-5-11(9-17)16(14)21-10-12-6-3-7-13(18)15(12)19/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene?
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-ethoxybenzene has a molecular weight of 357.19 g/mol, XLogP of 4.84, 6 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-ethoxybenzene is sourced from PubChem (CID 43659013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).