1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene

C10H8F6O — CID 135743171

IUPAC1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
SMILESCOc1cc(C)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F6O/c1-5-3-8(17-2)7(10(14,15)16)4-6(5)9(11,12)13/h3-4H,1-2H3
InChIKeyVWGLKPOTCPXPTA-UHFFFAOYSA-N
MW258.16 g/mol
LogP4.04
Rot. Bonds1

About 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene

1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene (PubChem CID 135743171) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
PubChem CID135743171
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
SMILESCOc1cc(C)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F6O/c1-5-3-8(17-2)7(10(14,15)16)4-6(5)9(11,12)13/h3-4H,1-2H3
InChIKeyVWGLKPOTCPXPTA-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
4-methoxy-2,5-bis(trifluoromethyl)benzonitrile
CID 119008587
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 116839392
4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline
CID 171373255
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene (CID 135743171) is 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene is COc1cc(C)c(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene?
The InChIKey is VWGLKPOTCPXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-5-3-8(17-2)7(10(14,15)16)4-6(5)9(11,12)13/h3-4H,1-2H3.
What are the key properties of 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene?
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene has a molecular weight of 258.16 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 135743171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).