1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene

C18H19F3O2 — CID 90878179

IUPAC1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene
SMILESCOc1cc(C(C)C)ccc1-c1c(OC)cccc1C(F)(F)F
InChIInChI=1S/C18H19F3O2/c1-11(2)12-8-9-13(16(10-12)23-4)17-14(18(19,20)21)6-5-7-15(17)22-3/h5-11H,1-4H3
InChIKeyIKUXYZLFPIUGQI-UHFFFAOYSA-N
MW324.34 g/mol
LogP5.51
Rot. Bonds4

About 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene

1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene (PubChem CID 90878179) has the molecular formula C18H19F3O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene
PubChem CID90878179
Molecular FormulaC18H19F3O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene
SMILESCOc1cc(C(C)C)ccc1-c1c(OC)cccc1C(F)(F)F
InChIInChI=1S/C18H19F3O2/c1-11(2)12-8-9-13(16(10-12)23-4)17-14(18(19,20)21)6-5-7-15(17)22-3/h5-11H,1-4H3
InChIKeyIKUXYZLFPIUGQI-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.34
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
4-methoxy-6-propan-2-ylazulene
CID 56627743
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole
CID 67807977
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
1-[3,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-N-methylethanamine
CID 110447814
3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117398617
1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 168958846
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene (CID 90878179) is 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene is COc1cc(C(C)C)ccc1-c1c(OC)cccc1C(F)(F)F.
What is the InChIKey of 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene?
The InChIKey is IKUXYZLFPIUGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O2/c1-11(2)12-8-9-13(16(10-12)23-4)17-14(18(19,20)21)6-5-7-15(17)22-3/h5-11H,1-4H3.
What are the key properties of 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene?
1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene has a molecular weight of 324.34 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 90878179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).