1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene

C14H11F3O — CID 14468002

IUPAC1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H11F3O/c1-18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15,16)17/h2-9H,1H3
InChIKeyJDYWQUFNWCVWFV-UHFFFAOYSA-N
MW252.24 g/mol
LogP4.38
Rot. Bonds2

About 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene

1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 14468002) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
PubChem CID14468002
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H11F3O/c1-18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15,16)17/h2-9H,1H3
InChIKeyJDYWQUFNWCVWFV-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
[3-[4-(trifluoromethyl)phenyl]phenyl] hydrogen sulfate
CID 69045913
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
3-[[4-(3-methoxyphenyl)phenyl]methyl]-8-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
CID 134787747
[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649070
1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 57101918
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
2-(3-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)benzene
CID 16754445

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene (CID 14468002) is 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene is COc1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is JDYWQUFNWCVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene?
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 252.24 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 14468002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).