1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene

C11H12ClF3O — CID 116964849

IUPAC1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C(F)(F)F
InChIInChI=1S/C11H12ClF3O/c1-5-6(2)10(16-4)8(11(13,14)15)7(3)9(5)12/h1-4H3
InChIKeyIOLNMQQGZOUOOR-UHFFFAOYSA-N
MW252.66 g/mol
LogP4.29
Rot. Bonds1

About 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene

1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene (PubChem CID 116964849) has the molecular formula C11H12ClF3O and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
PubChem CID116964849
Molecular FormulaC11H12ClF3O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
SMILESCOc1c(C)c(C)c(Cl)c(C)c1C(F)(F)F
InChIInChI=1S/C11H12ClF3O/c1-5-6(2)10(16-4)8(11(13,14)15)7(3)9(5)12/h1-4H3
InChIKeyIOLNMQQGZOUOOR-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-one
CID 116915424
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
2-chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine
CID 116954431
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide
CID 116827842

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene (CID 116964849) is 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene is COc1c(C)c(C)c(Cl)c(C)c1C(F)(F)F.
What is the InChIKey of 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene?
The InChIKey is IOLNMQQGZOUOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O/c1-5-6(2)10(16-4)8(11(13,14)15)7(3)9(5)12/h1-4H3.
What are the key properties of 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene?
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene has a molecular weight of 252.66 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 116964849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).