1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene

C14H11Cl2FO — CID 64853464

IUPAC1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
SMILESCc1ccc(F)c(Oc2cccc(Cl)c2CCl)c1
InChIInChI=1S/C14H11Cl2FO/c1-9-5-6-12(17)14(7-9)18-13-4-2-3-11(16)10(13)8-15/h2-7H,8H2,1H3
InChIKeyQXUTTXLFBAEXMS-UHFFFAOYSA-N
MW285.15 g/mol
LogP5.32
Rot. Bonds3

About 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene

1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene (PubChem CID 64853464) has the molecular formula C14H11Cl2FO and a molecular weight of 285.15 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
PubChem CID64853464
Molecular FormulaC14H11Cl2FO
Molecular Weight285.15 g/mol
Exact Mass284.02
IUPAC Name1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
SMILESCc1ccc(F)c(Oc2cccc(Cl)c2CCl)c1
InChIInChI=1S/C14H11Cl2FO/c1-9-5-6-12(17)14(7-9)18-13-4-2-3-11(16)10(13)8-15/h2-7H,8H2,1H3
InChIKeyQXUTTXLFBAEXMS-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.15
LogP ≤ 55.32
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-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
1-tert-butyl-2-[3-chloro-2-(chloromethyl)phenoxy]-4-methylbenzene
CID 63565889
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene
CID 144860819
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
2-chloro-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 63565892
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
CID 64854337

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene?
The IUPAC name of 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene (CID 64853464) is 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene?
The canonical SMILES for 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene is Cc1ccc(F)c(Oc2cccc(Cl)c2CCl)c1.
What is the InChIKey of 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene?
The InChIKey is QXUTTXLFBAEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c1-9-5-6-12(17)14(7-9)18-13-4-2-3-11(16)10(13)8-15/h2-7H,8H2,1H3.
What are the key properties of 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene?
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene has a molecular weight of 285.15 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene is sourced from PubChem (CID 64853464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).