1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene

C15H13Cl2FO — CID 106864606

IUPAC1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene
SMILESCc1ccc(COc2cc(F)cc(CCl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c1-10-2-3-12(15(17)4-10)9-19-14-6-11(8-16)5-13(18)7-14/h2-7H,8-9H2,1H3
InChIKeyGTGLURWJAXTHHM-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.11
Rot. Bonds4

About 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene

1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene (PubChem CID 106864606) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene
PubChem CID106864606
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene
SMILESCc1ccc(COc2cc(F)cc(CCl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c1-10-2-3-12(15(17)4-10)9-19-14-6-11(8-16)5-13(18)7-14/h2-7H,8-9H2,1H3
InChIKeyGTGLURWJAXTHHM-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-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907
(1R)-1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-1-ol
CID 106864374
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 106861670
2-chloro-1-[(3-fluoro-4-nitrophenoxy)methyl]-4-methylbenzene
CID 106870898

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene?
The IUPAC name of 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene (CID 106864606) is 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene.
What is the SMILES notation for 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene?
The canonical SMILES for 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene is Cc1ccc(COc2cc(F)cc(CCl)c2)c(Cl)c1.
What is the InChIKey of 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene?
The InChIKey is GTGLURWJAXTHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-10-2-3-12(15(17)4-10)9-19-14-6-11(8-16)5-13(18)7-14/h2-7H,8-9H2,1H3.
What are the key properties of 1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene?
1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-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-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene is sourced from PubChem (CID 106864606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).