1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone

C21H17FO2 — CID 172649387

IUPAC1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17FO2/c1-15(23)18-12-11-17(22)13-20(18)19-9-5-6-10-21(19)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeySAVISHWOYSDZAY-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.27
Rot. Bonds5

About 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone

1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone (PubChem CID 172649387) has the molecular formula C21H17FO2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
PubChem CID172649387
Molecular FormulaC21H17FO2
Molecular Weight320.36 g/mol
Exact Mass320.12
IUPAC Name1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17FO2/c1-15(23)18-12-11-17(22)13-20(18)19-9-5-6-10-21(19)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeySAVISHWOYSDZAY-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
1-[4-(3-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037805
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
CID 157299083

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone (CID 172649387) is 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone is CC(=O)c1ccc(F)cc1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone?
The InChIKey is SAVISHWOYSDZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO2/c1-15(23)18-12-11-17(22)13-20(18)19-9-5-6-10-21(19)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone?
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone has a molecular weight of 320.36 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 172649387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).