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

C16H12ClF3O — CID 155146173

IUPAC2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
SMILESC=Cc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H12ClF3O/c1-2-11-4-3-5-12(8-11)10-21-15-7-6-13(9-14(15)17)16(18,19)20/h2-9H,1,10H2
InChIKeyRLGYXLOTBFPAIO-UHFFFAOYSA-N
MW312.72 g/mol
LogP5.58
Rot. Bonds4

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

2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene (PubChem CID 155146173) has the molecular formula C16H12ClF3O and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
PubChem CID155146173
Molecular FormulaC16H12ClF3O
Molecular Weight312.72 g/mol
Exact Mass312.05
IUPAC Name2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
SMILESC=Cc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H12ClF3O/c1-2-11-4-3-5-12(8-11)10-21-15-7-6-13(9-14(15)17)16(18,19)20/h2-9H,1,10H2
InChIKeyRLGYXLOTBFPAIO-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 86122980
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
(2S,3R)-2-[[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 155154049
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide
CID 155153809
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841957
1-(bromomethyl)-3-nitrobenzene;2-chloro-1-[(3-nitrophenyl)methoxy]-4-(trifluoromethyl)benzene;2-chloro-4-(trifluoromethyl)phenol
CID 162208329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene (CID 155146173) is 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene is C=Cc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene?
The InChIKey is RLGYXLOTBFPAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3O/c1-2-11-4-3-5-12(8-11)10-21-15-7-6-13(9-14(15)17)16(18,19)20/h2-9H,1,10H2.
What are the key properties of 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene?
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene has a molecular weight of 312.72 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 155146173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).