1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene

C15H13Cl2FO2 — CID 102877191

IUPAC1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(COc2ccc(CCl)cc2Cl)c(F)c1
InChIInChI=1S/C15H13Cl2FO2/c1-19-12-4-3-11(14(18)7-12)9-20-15-5-2-10(8-16)6-13(15)17/h2-7H,8-9H2,1H3
InChIKeyWYHYOTHKLGXVSY-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.81
Rot. Bonds5

About 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene

1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene (PubChem CID 102877191) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
PubChem CID102877191
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(COc2ccc(CCl)cc2Cl)c(F)c1
InChIInChI=1S/C15H13Cl2FO2/c1-19-12-4-3-11(14(18)7-12)9-20-15-5-2-10(8-16)6-13(15)17/h2-7H,8-9H2,1H3
InChIKeyWYHYOTHKLGXVSY-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.81
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-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877183
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene (CID 102877191) is 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene is COc1ccc(COc2ccc(CCl)cc2Cl)c(F)c1.
What is the InChIKey of 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is WYHYOTHKLGXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c1-19-12-4-3-11(14(18)7-12)9-20-15-5-2-10(8-16)6-13(15)17/h2-7H,8-9H2,1H3.
What are the key properties of 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene?
1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 315.17 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 102877191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).