1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene

C14H12F2O — CID 143178239

IUPAC1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
SMILESCc1cc(F)cc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C14H12F2O/c1-10-6-13(16)8-14(7-10)17-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyQZERMLPVHIQNAX-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.85
Rot. Bonds3

About 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene

1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene (PubChem CID 143178239) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene.

Molecular Properties

Compound Name1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
PubChem CID143178239
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
SMILESCc1cc(F)cc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C14H12F2O/c1-10-6-13(16)8-14(7-10)17-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3
InChIKeyQZERMLPVHIQNAX-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
CID 59223964
3-fluoro-5-[(4-fluorophenyl)methoxy]phenol
CID 146557101
[3-fluoro-5-[(4-methylphenyl)methoxy]phenyl]boronic acid
CID 81332002
1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
CID 118908563
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene?
The IUPAC name of 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene (CID 143178239) is 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene.
What is the SMILES notation for 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene?
The canonical SMILES for 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene is Cc1cc(F)cc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene?
The InChIKey is QZERMLPVHIQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-10-6-13(16)8-14(7-10)17-9-11-2-4-12(15)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene?
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene has a molecular weight of 234.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene is sourced from PubChem (CID 143178239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).