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

C11H13F3O — CID 116964846

IUPAC1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
SMILESCOc1cc(C)c(C(F)(F)F)c(C)c1C
InChIInChI=1S/C11H13F3O/c1-6-5-9(15-4)7(2)8(3)10(6)11(12,13)14/h5H,1-4H3
InChIKeyNGKSJKVEYWHQCM-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.64
Rot. Bonds1

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

1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene (PubChem CID 116964846) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
PubChem CID116964846
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
SMILESCOc1cc(C)c(C(F)(F)F)c(C)c1C
InChIInChI=1S/C11H13F3O/c1-6-5-9(15-4)7(2)8(3)10(6)11(12,13)14/h5H,1-4H3
InChIKeyNGKSJKVEYWHQCM-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol
CID 83958837
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
1,3,5-trimethoxybenzene;1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 158466163
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
CID 131481982
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
CID 163283549

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene (CID 116964846) is 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene is COc1cc(C)c(C(F)(F)F)c(C)c1C.
What is the InChIKey of 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene?
The InChIKey is NGKSJKVEYWHQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-6-5-9(15-4)7(2)8(3)10(6)11(12,13)14/h5H,1-4H3.
What are the key properties of 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene?
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 116964846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).