1-benzyl-3-(fluoromethoxy)benzene

C14H13FO — CID 173286107

IUPAC1-benzyl-3-(fluoromethoxy)benzene
SMILESFCOc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H13FO/c15-11-16-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2
InChIKeyJRNISKVEWCACTE-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.58
Rot. Bonds4

About 1-benzyl-3-(fluoromethoxy)benzene

1-benzyl-3-(fluoromethoxy)benzene (PubChem CID 173286107) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-benzyl-3-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1-benzyl-3-(fluoromethoxy)benzene
PubChem CID173286107
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name1-benzyl-3-(fluoromethoxy)benzene
SMILESFCOc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H13FO/c15-11-16-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2
InChIKeyJRNISKVEWCACTE-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-(fluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(fluoromethoxy)phenyl]methanol
CID 130445893
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
2-[2-(3-benzylphenoxy)ethyl]naphthalene
CID 141063921
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
2-(3-benzylphenoxy)acetohydrazide
CID 154999713
3-(fluoromethoxy)benzaldehyde
CID 22718686
(3-benzylphenoxy)methanedithioic acid
CID 87382008
(2S)-2-amino-3-[3-(fluoromethoxy)phenyl]-2-methylpropanoic acid
CID 118427119
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
CID 71163703
1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
CID 153498414

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(fluoromethoxy)benzene?
The IUPAC name of 1-benzyl-3-(fluoromethoxy)benzene (CID 173286107) is 1-benzyl-3-(fluoromethoxy)benzene.
What is the SMILES notation for 1-benzyl-3-(fluoromethoxy)benzene?
The canonical SMILES for 1-benzyl-3-(fluoromethoxy)benzene is FCOc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-(fluoromethoxy)benzene?
The InChIKey is JRNISKVEWCACTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c15-11-16-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2.
What are the key properties of 1-benzyl-3-(fluoromethoxy)benzene?
1-benzyl-3-(fluoromethoxy)benzene has a molecular weight of 216.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(fluoromethoxy)benzene is sourced from PubChem (CID 173286107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).