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

C13H9Cl2FO — CID 114846971

IUPAC4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2cc(Cl)ccc2CCl)cc1
InChIInChI=1S/C13H9Cl2FO/c14-8-9-1-2-10(15)7-13(9)17-12-5-3-11(16)4-6-12/h1-7H,8H2
InChIKeyRLHBEXPRLOFTSU-UHFFFAOYSA-N
MW271.12 g/mol
LogP5.01
Rot. Bonds3

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

4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene (PubChem CID 114846971) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
PubChem CID114846971
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2cc(Cl)ccc2CCl)cc1
InChIInChI=1S/C13H9Cl2FO/c14-8-9-1-2-10(15)7-13(9)17-12-5-3-11(16)4-6-12/h1-7H,8H2
InChIKeyRLHBEXPRLOFTSU-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

4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
1-[4-chloro-2-(chloromethyl)phenoxy]-3,5-difluorobenzene
CID 114847104
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 114846926
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
4-[5-chloro-2-(hydroxymethyl)phenoxy]benzonitrile
CID 114846043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene?
The IUPAC name of 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene (CID 114846971) is 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene.
What is the SMILES notation for 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene?
The canonical SMILES for 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene is Fc1ccc(Oc2cc(Cl)ccc2CCl)cc1.
What is the InChIKey of 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene?
The InChIKey is RLHBEXPRLOFTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-8-9-1-2-10(15)7-13(9)17-12-5-3-11(16)4-6-12/h1-7H,8H2.
What are the key properties of 4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene?
4-chloro-1-(chloromethyl)-2-(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-1-(chloromethyl)-2-(4-fluorophenoxy)benzene is sourced from PubChem (CID 114846971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).