1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one

C22H19FO2 — CID 146006671

IUPAC1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C22H19FO2/c23-20-10-4-8-18(14-20)16-25-21-11-5-9-19(15-21)22(24)13-12-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2
InChIKeyXRZLJKRYTULCHE-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.22
Rot. Bonds7

About 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one

1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one (PubChem CID 146006671) has the molecular formula C22H19FO2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
PubChem CID146006671
Molecular FormulaC22H19FO2
Molecular Weight334.39 g/mol
Exact Mass334.14
IUPAC Name1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C22H19FO2/c23-20-10-4-8-18(14-20)16-25-21-11-5-9-19(15-21)22(24)13-12-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2
InChIKeyXRZLJKRYTULCHE-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one 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-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3,5,5-trimethylhexan-1-one
CID 146006669
2,3-dibromo-1-[3-[(3-fluorophenyl)methoxy]phenyl]propan-1-one
CID 146006635
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
CID 82117867
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one (CID 146006671) is 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one?
The InChIKey is XRZLJKRYTULCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO2/c23-20-10-4-8-18(14-20)16-25-21-11-5-9-19(15-21)22(24)13-12-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2.
What are the key properties of 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one?
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one has a molecular weight of 334.39 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 146006671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).