(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone

C16H16FNO3 — CID 115794189

IUPAC(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C16H16FNO3/c1-3-6-21-13-7-12(9-18-10-13)16(19)11-4-5-14(17)15(8-11)20-2/h4-5,7-10H,3,6H2,1-2H3
InChIKeyDSCDKYUTFLLDDW-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.25
Rot. Bonds6

About (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone

(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 115794189) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID115794189
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C16H16FNO3/c1-3-6-21-13-7-12(9-18-10-13)16(19)11-4-5-14(17)15(8-11)20-2/h4-5,7-10H,3,6H2,1-2H3
InChIKeyDSCDKYUTFLLDDW-UHFFFAOYSA-N
XLogP3.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 116554126
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone (CID 115794189) is (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2ccc(F)c(OC)c2)c1.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is DSCDKYUTFLLDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-6-21-13-7-12(9-18-10-13)16(19)11-4-5-14(17)15(8-11)20-2/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone?
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 289.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115794189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).