1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene

C16H16ClFO2 — CID 13367652

IUPAC1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene
SMILESFCCOc1ccc(COCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClFO2/c17-15-5-1-13(2-6-15)11-19-12-14-3-7-16(8-4-14)20-10-9-18/h1-8H,9-12H2
InChIKeyRDZGXLQUBYZIPE-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.41
Rot. Bonds7

About 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene

1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene (PubChem CID 13367652) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene
PubChem CID13367652
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene
SMILESFCCOc1ccc(COCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClFO2/c17-15-5-1-13(2-6-15)11-19-12-14-3-7-16(8-4-14)20-10-9-18/h1-8H,9-12H2
InChIKeyRDZGXLQUBYZIPE-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687
1-chloro-4-[20-(4-chlorophenoxy)icos-10-enoxymethyl]benzene
CID 57214176
2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene
CID 134123415
1-dodecoxy-4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 24749146
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
5-[(4-chlorophenyl)methoxy]-2-fluoropyridine
CID 115282951
2-(4-chlorophenoxy)-4-[[3-(4-chlorophenoxy)-4-fluorophenyl]methoxymethyl]-1-fluorobenzene
CID 139679017
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-[4-[(4-chlorophenoxy)methyl]phenoxy]-3-[2-[3-[4-[(4-chlorophenoxy)methyl]phenoxy]-2-oxopropoxy]ethoxy]propan-2-one
CID 57071405

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene?
The IUPAC name of 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene (CID 13367652) is 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene.
What is the SMILES notation for 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene?
The canonical SMILES for 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene is FCCOc1ccc(COCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene?
The InChIKey is RDZGXLQUBYZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c17-15-5-1-13(2-6-15)11-19-12-14-3-7-16(8-4-14)20-10-9-18/h1-8H,9-12H2.
What are the key properties of 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene?
1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene has a molecular weight of 294.75 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[4-(2-fluoroethoxy)phenyl]methoxymethyl]benzene is sourced from PubChem (CID 13367652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).