1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene

C15H13Cl2FO — CID 112613291

IUPAC1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
SMILESCc1cccc(CCl)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H13Cl2FO/c1-10-4-2-5-11(8-16)15(10)19-9-12-13(17)6-3-7-14(12)18/h2-7H,8-9H2,1H3
InChIKeyGFGGNSXCNSAKIL-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.11
Rot. Bonds4

About 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene

1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene (PubChem CID 112613291) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
PubChem CID112613291
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
SMILESCc1cccc(CCl)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H13Cl2FO/c1-10-4-2-5-11(8-16)15(10)19-9-12-13(17)6-3-7-14(12)18/h2-7H,8-9H2,1H3
InChIKeyGFGGNSXCNSAKIL-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.17
LogP ≤ 55.11
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-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 115962273
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzonitrile
CID 115956515
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
4-[(2-chloro-6-fluorophenyl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 65472294
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene (CID 112613291) is 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene is Cc1cccc(CCl)c1OCc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
The InChIKey is GFGGNSXCNSAKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-10-4-2-5-11(8-16)15(10)19-9-12-13(17)6-3-7-14(12)18/h2-7H,8-9H2,1H3.
What are the key properties of 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene?
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene has a molecular weight of 299.17 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene is sourced from PubChem (CID 112613291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).