3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene

C14H12F2O — CID 118149747

IUPAC3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(-c2cccc(F)c2)c(C)c1F
InChIInChI=1S/C14H12F2O/c1-9-12(6-7-13(17-2)14(9)16)10-4-3-5-11(15)8-10/h3-8H,1-2H3
InChIKeyVBARKUAWGVAJQG-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.95
Rot. Bonds2

About 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene

3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene (PubChem CID 118149747) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
PubChem CID118149747
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(-c2cccc(F)c2)c(C)c1F
InChIInChI=1S/C14H12F2O/c1-9-12(6-7-13(17-2)14(9)16)10-4-3-5-11(15)8-10/h3-8H,1-2H3
InChIKeyVBARKUAWGVAJQG-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
[1-[[3-(3-fluoro-4-methoxy-2-methylphenyl)phenyl]methyl]cyclopropyl]methanol
CID 166377199
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149723
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080
3-(3-fluorophenyl)-2-methoxy-6-methylpyridine
CID 46312939
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene?
The IUPAC name of 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene (CID 118149747) is 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene.
What is the SMILES notation for 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene?
The canonical SMILES for 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene is COc1ccc(-c2cccc(F)c2)c(C)c1F.
What is the InChIKey of 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene?
The InChIKey is VBARKUAWGVAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-9-12(6-7-13(17-2)14(9)16)10-4-3-5-11(15)8-10/h3-8H,1-2H3.
What are the key properties of 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene?
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene has a molecular weight of 234.25 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene is sourced from PubChem (CID 118149747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).