1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene

C9H8ClF3O — CID 116964823

IUPAC1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
SMILESCOc1cc(C)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3O/c1-5-3-8(14-2)7(10)4-6(5)9(11,12)13/h3-4H,1-2H3
InChIKeyCZPBHBAACWOWJY-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.68
Rot. Bonds1

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

1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene (PubChem CID 116964823) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
PubChem CID116964823
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
SMILESCOc1cc(C)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3O/c1-5-3-8(14-2)7(10)4-6(5)9(11,12)13/h3-4H,1-2H3
InChIKeyCZPBHBAACWOWJY-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
3-(5-chloro-4-methoxy-2-methylphenyl)-3,3-difluoropropan-1-amine
CID 116838545
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143
5-chloro-4-methoxy-2-(trifluoromethyl)benzonitrile
CID 117343806
2-(5-chloro-4-methoxy-2-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519809
1-chloro-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117391970
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
1-chloro-4-methyl-2-nitro-5-(trifluoromethyl)benzene
CID 91757389

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene (CID 116964823) is 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene is COc1cc(C)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene?
The InChIKey is CZPBHBAACWOWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-5-3-8(14-2)7(10)4-6(5)9(11,12)13/h3-4H,1-2H3.
What are the key properties of 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene?
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene has a molecular weight of 224.61 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 116964823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).