1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene

C11H12ClF3O — CID 146247201

IUPAC1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene
SMILESCCCOc1c(Cl)cc(C)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3O/c1-3-4-16-10-8(11(13,14)15)5-7(2)6-9(10)12/h5-6H,3-4H2,1-2H3
InChIKeyTXWCFDQRKPYXPU-UHFFFAOYSA-N
MW252.66 g/mol
LogP4.46
Rot. Bonds3

About 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene

1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene (PubChem CID 146247201) has the molecular formula C11H12ClF3O and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene
PubChem CID146247201
Molecular FormulaC11H12ClF3O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene
SMILESCCCOc1c(Cl)cc(C)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3O/c1-3-4-16-10-8(11(13,14)15)5-7(2)6-9(10)12/h5-6H,3-4H2,1-2H3
InChIKeyTXWCFDQRKPYXPU-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butoxy-3-chloro-5-(trifluoromethyl)aniline
CID 154260016
2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959054
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959162
2-(2,6-dichloro-4-methylphenoxy)ethanol
CID 21396902
2-chloro-4-methyl-6-(trifluoromethyl)benzenethiol
CID 171004287
1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
CID 145381877
2,4-dichloro-1-propoxynaphthalene
CID 70099872
3-chloro-5-methyl-2-propoxypyridine
CID 58571259
3,5-dichloro-2-propoxyphenol
CID 82267104
1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 58376578
4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863787

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene (CID 146247201) is 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene is CCCOc1c(Cl)cc(C)cc1C(F)(F)F.
What is the InChIKey of 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene?
The InChIKey is TXWCFDQRKPYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O/c1-3-4-16-10-8(11(13,14)15)5-7(2)6-9(10)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene?
1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene has a molecular weight of 252.66 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 146247201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).