4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene

C13H9Cl2FO — CID 114846972

IUPAC4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2ccc(Cl)cc2CCl)cc1
InChIInChI=1S/C13H9Cl2FO/c14-8-9-7-10(15)1-6-13(9)17-12-4-2-11(16)3-5-12/h1-7H,8H2
InChIKeyXVDDQYYTQYAVKW-UHFFFAOYSA-N
MW271.12 g/mol
LogP5.01
Rot. Bonds3

About 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene

4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene (PubChem CID 114846972) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
PubChem CID114846972
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2ccc(Cl)cc2CCl)cc1
InChIInChI=1S/C13H9Cl2FO/c14-8-9-7-10(15)1-6-13(9)17-12-4-2-11(16)3-5-12/h1-7H,8H2
InChIKeyXVDDQYYTQYAVKW-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.12
LogP ≤ 55.01
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-[4-chloro-2-(chloromethyl)phenoxy]-3,5-difluorobenzene
CID 114847104
4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
CID 114846971
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
4-chloro-2-(chloromethyl)-1-(4-methylsulfonylphenoxy)benzene
CID 114847043
1-(4-butan-2-ylphenoxy)-4-chloro-2-(chloromethyl)benzene
CID 107666188
2-(chloromethyl)-1-(4-fluorophenoxy)-4-nitrobenzene
CID 28964827
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
2-(chloromethyl)-4-fluoro-1-(4-nitrophenoxy)benzene
CID 54915564
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene (CID 114846972) is 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene is Fc1ccc(Oc2ccc(Cl)cc2CCl)cc1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene?
The InChIKey is XVDDQYYTQYAVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-8-9-7-10(15)1-6-13(9)17-12-4-2-11(16)3-5-12/h1-7H,8H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene?
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene has a molecular weight of 271.12 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene is sourced from PubChem (CID 114846972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).