2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene

C20H14ClF3O2 — CID 13094093

IUPAC2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Oc2ccc(OCc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H14ClF3O2/c21-18-12-15(20(22,23)24)6-11-19(18)26-17-9-7-16(8-10-17)25-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyBZAPQTMXRNCHEB-UHFFFAOYSA-N
MW378.78 g/mol
LogP6.73
Rot. Bonds5

About 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene

2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene (PubChem CID 13094093) has the molecular formula C20H14ClF3O2 and a molecular weight of 378.78 g/mol. Its IUPAC name is 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene
PubChem CID13094093
Molecular FormulaC20H14ClF3O2
Molecular Weight378.78 g/mol
Exact Mass378.06
IUPAC Name2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Oc2ccc(OCc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C20H14ClF3O2/c21-18-12-15(20(22,23)24)6-11-19(18)26-17-9-7-16(8-10-17)25-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyBZAPQTMXRNCHEB-UHFFFAOYSA-N
XLogP6.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.78
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene (CID 13094093) is 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Oc2ccc(OCc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is BZAPQTMXRNCHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3O2/c21-18-12-15(20(22,23)24)6-11-19(18)26-17-9-7-16(8-10-17)25-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene?
2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene has a molecular weight of 378.78 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-phenylmethoxyphenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 13094093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).