1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene

C20H14Cl2F2O2 — CID 54389256

IUPAC1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene
SMILESCC(Oc1cc(Oc2ccc(F)c(F)c2)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2F2O2/c1-12(13-2-4-14(21)5-3-13)25-20-11-16(6-8-17(20)22)26-15-7-9-18(23)19(24)10-15/h2-12H,1H3
InChIKeyVFLSTPRKEBVRMU-UHFFFAOYSA-N
MW395.23 g/mol
LogP7.20
Rot. Bonds5

About 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene

1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene (PubChem CID 54389256) has the molecular formula C20H14Cl2F2O2 and a molecular weight of 395.23 g/mol. Its IUPAC name is 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene
PubChem CID54389256
Molecular FormulaC20H14Cl2F2O2
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC Name1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene
SMILESCC(Oc1cc(Oc2ccc(F)c(F)c2)ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2F2O2/c1-12(13-2-4-14(21)5-3-13)25-20-11-16(6-8-17(20)22)26-15-7-9-18(23)19(24)10-15/h2-12H,1H3
InChIKeyVFLSTPRKEBVRMU-UHFFFAOYSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.23
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 129665828
CID 129665828
CID 970031
CID 970031
CID 975036
CID 975036
CID 1289369
CID 1289369
CID 1295989
CID 1295989
CID 2211086
CID 2211086
CID 12896698
CID 12896698
CID 12939677
CID 12939677
CID 12960208
CID 12960208
CID 13059277
CID 13059277
CID 13390267
CID 13390267
CID 14878490
CID 14878490

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene?
The IUPAC name of 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene (CID 54389256) is 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene.
What is the SMILES notation for 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene?
The canonical SMILES for 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene is CC(Oc1cc(Oc2ccc(F)c(F)c2)ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene?
The InChIKey is VFLSTPRKEBVRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2O2/c1-12(13-2-4-14(21)5-3-13)25-20-11-16(6-8-17(20)22)26-15-7-9-18(23)19(24)10-15/h2-12H,1H3.
What are the key properties of 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene?
1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene has a molecular weight of 395.23 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(4-chlorophenyl)ethoxy]-4-(3,4-difluorophenoxy)benzene is sourced from PubChem (CID 54389256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).