2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene

C13H9Cl2FO2 — CID 56627522

IUPAC2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCOc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FO2/c14-9-1-4-11(5-2-9)17-8-18-13-6-3-10(16)7-12(13)15/h1-7H,8H2
InChIKeyFSBYSEPLYBKZKF-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene

2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene (PubChem CID 56627522) has the molecular formula C13H9Cl2FO2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene
PubChem CID56627522
Molecular FormulaC13H9Cl2FO2
Molecular Weight287.12 g/mol
Exact Mass286.00
IUPAC Name2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene
SMILESFc1ccc(OCOc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FO2/c14-9-1-4-11(5-2-9)17-8-18-13-6-3-10(16)7-12(13)15/h1-7H,8H2
InChIKeyFSBYSEPLYBKZKF-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2-chloro-4-fluorophenoxy)ethoxy]phenyl]ethanamine
CID 60971172
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
1-chloro-4-[(2-methylphenoxy)methoxy]benzene
CID 59416592
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
2,4-dichloro-1-[2-(4-fluorophenoxy)propoxy]benzene
CID 57170883
2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
CID 63665649
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene (CID 56627522) is 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene is Fc1ccc(OCOc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene?
The InChIKey is FSBYSEPLYBKZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO2/c14-9-1-4-11(5-2-9)17-8-18-13-6-3-10(16)7-12(13)15/h1-7H,8H2.
What are the key properties of 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene?
2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene has a molecular weight of 287.12 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene is sourced from PubChem (CID 56627522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).