1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one

C17H17FO3 — CID 114974368

IUPAC1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C17H17FO3/c1-20-14-7-3-12(4-8-14)5-10-16(19)13-6-9-15(18)17(11-13)21-2/h3-4,6-9,11H,5,10H2,1-2H3
InChIKeyCOIMNTGBTXNVHJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one

1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 114974368) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID114974368
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C17H17FO3/c1-20-14-7-3-12(4-8-14)5-10-16(19)13-6-9-15(18)17(11-13)21-2/h3-4,6-9,11H,5,10H2,1-2H3
InChIKeyCOIMNTGBTXNVHJ-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 53415502
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-(4-fluoro-3-methoxyphenyl)-4-methoxybutan-1-one
CID 115815632
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(4-fluoro-3-methoxyphenyl)decan-1-one
CID 114966463
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
ethyl 4-(4-fluoro-3-methoxyphenyl)-4-oxobutanoate
CID 114016246
1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974360

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one (CID 114974368) is 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccc(F)c(OC)c2)cc1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is COIMNTGBTXNVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-14-7-3-12(4-8-14)5-10-16(19)13-6-9-15(18)17(11-13)21-2/h3-4,6-9,11H,5,10H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 288.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 114974368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).