2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene

C15H13ClF2O2 — CID 118455233

IUPAC2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(F)c(CCl)c2F)cc1
InChIInChI=1S/C15H13ClF2O2/c1-19-11-4-2-10(3-5-11)9-20-14-7-6-13(17)12(8-16)15(14)18/h2-7H,8-9H2,1H3
InChIKeyZUEAZIJUWKCXSB-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.29
Rot. Bonds5

About 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene

2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 118455233) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene
PubChem CID118455233
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(F)c(CCl)c2F)cc1
InChIInChI=1S/C15H13ClF2O2/c1-19-11-4-2-10(3-5-11)9-20-14-7-6-13(17)12(8-16)15(14)18/h2-7H,8-9H2,1H3
InChIKeyZUEAZIJUWKCXSB-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.29
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

2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
CID 102877191
3-bromo-2-fluoro-1-[(4-methoxyphenyl)methoxy]-4-nitrobenzene
CID 166491033
2,3-difluoro-1-methoxy-4-[(4-methylphenyl)methoxy]benzene
CID 123795943
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene (CID 118455233) is 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(F)c(CCl)c2F)cc1.
What is the InChIKey of 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is ZUEAZIJUWKCXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-19-11-4-2-10(3-5-11)9-20-14-7-6-13(17)12(8-16)15(14)18/h2-7H,8-9H2,1H3.
What are the key properties of 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene?
2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 298.72 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 118455233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).