4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene

C14H10ClF3O — CID 134627944

IUPAC4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
SMILESCOc1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3O/c1-19-13-8-11(15)5-6-12(13)9-3-2-4-10(7-9)14(16,17)18/h2-8H,1H3
InChIKeyHRFHDMXDXPZAFB-UHFFFAOYSA-N
MW286.68 g/mol
LogP5.03
Rot. Bonds2

About 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene

4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134627944) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134627944
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
SMILESCOc1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3O/c1-19-13-8-11(15)5-6-12(13)9-3-2-4-10(7-9)14(16,17)18/h2-8H,1H3
InChIKeyHRFHDMXDXPZAFB-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.68
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 10428889
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
[2-methoxy-5-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]boronic acid
CID 123757639
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
2-chloro-3-methoxy-4-[3-(trifluoromethyl)phenyl]pyridine
CID 118997181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene (CID 134627944) is 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene is COc1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is HRFHDMXDXPZAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c1-19-13-8-11(15)5-6-12(13)9-3-2-4-10(7-9)14(16,17)18/h2-8H,1H3.
What are the key properties of 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene?
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 286.68 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134627944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).