1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene

C14H11Cl2FO — CID 106530583

IUPAC1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
SMILESCc1cc(Oc2cc(F)cc(CCl)c2)ccc1Cl
InChIInChI=1S/C14H11Cl2FO/c1-9-4-12(2-3-14(9)16)18-13-6-10(8-15)5-11(17)7-13/h2-7H,8H2,1H3
InChIKeyDVXYYAMJBJDCFK-UHFFFAOYSA-N
MW285.15 g/mol
LogP5.32
Rot. Bonds3

About 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene

1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene (PubChem CID 106530583) has the molecular formula C14H11Cl2FO and a molecular weight of 285.15 g/mol. Its IUPAC name is 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
PubChem CID106530583
Molecular FormulaC14H11Cl2FO
Molecular Weight285.15 g/mol
Exact Mass284.02
IUPAC Name1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
SMILESCc1cc(Oc2cc(F)cc(CCl)c2)ccc1Cl
InChIInChI=1S/C14H11Cl2FO/c1-9-4-12(2-3-14(9)16)18-13-6-10(8-15)5-11(17)7-13/h2-7H,8H2,1H3
InChIKeyDVXYYAMJBJDCFK-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-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
CID 106530586
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-chloro-2-[3-(chloromethyl)-5-fluorophenoxy]-4-nitrobenzene
CID 106530691
1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene
CID 106864606
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
CID 113325400
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene?
The IUPAC name of 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene (CID 106530583) is 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene?
The canonical SMILES for 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene is Cc1cc(Oc2cc(F)cc(CCl)c2)ccc1Cl.
What is the InChIKey of 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene?
The InChIKey is DVXYYAMJBJDCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c1-9-4-12(2-3-14(9)16)18-13-6-10(8-15)5-11(17)7-13/h2-7H,8H2,1H3.
What are the key properties of 1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene?
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene 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-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene is sourced from PubChem (CID 106530583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).