1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene

C17H16ClF3O — CID 70799689

IUPAC1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C17H16ClF3O/c1-16(2,3)11-4-7-13(8-5-11)22-15-9-6-12(10-14(15)18)17(19,20)21/h4-10H,1-3H3
InChIKeyGPTBUGHESVBLQA-UHFFFAOYSA-N
MW328.76 g/mol
LogP6.45
Rot. Bonds2

About 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene

1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene (PubChem CID 70799689) has the molecular formula C17H16ClF3O and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
PubChem CID70799689
Molecular FormulaC17H16ClF3O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C17H16ClF3O/c1-16(2,3)11-4-7-13(8-5-11)22-15-9-6-12(10-14(15)18)17(19,20)21/h4-10H,1-3H3
InChIKeyGPTBUGHESVBLQA-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.76
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
CID 89104061
CID 89104061
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanenitrile
CID 20536118
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 54400274
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 70608647
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
4-(bromomethyl)-1-(4-tert-butylphenoxy)-2-chlorobenzene
CID 107086858
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene (CID 70799689) is 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene is CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene?
The InChIKey is GPTBUGHESVBLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3O/c1-16(2,3)11-4-7-13(8-5-11)22-15-9-6-12(10-14(15)18)17(19,20)21/h4-10H,1-3H3.
What are the key properties of 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene?
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene has a molecular weight of 328.76 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 70799689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).