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

C14H10ClF3O2 — CID 134629678

IUPAC4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1ccc(Cl)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10ClF3O2/c1-19-13-7-4-10(15)8-12(13)9-2-5-11(6-3-9)20-14(16,17)18/h2-8H,1H3
InChIKeyJETWTJRHONAXAD-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.91
Rot. Bonds3

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

4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 134629678) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID134629678
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1ccc(Cl)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10ClF3O2/c1-19-13-7-4-10(15)8-12(13)9-2-5-11(6-3-9)20-14(16,17)18/h2-8H,1H3
InChIKeyJETWTJRHONAXAD-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
4-ethynyl-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 172879728
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 118813118
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
CID 118844964
4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
CID 177414477
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine
CID 165420384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene (CID 134629678) is 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene is COc1ccc(Cl)cc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is JETWTJRHONAXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c1-19-13-7-4-10(15)8-12(13)9-2-5-11(6-3-9)20-14(16,17)18/h2-8H,1H3.
What are the key properties of 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene?
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 302.68 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134629678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).