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

C18H27FO2 — CID 22934232

IUPAC3-fluoro-1-(4-methoxyphenyl)undecan-1-one
SMILESCCCCCCCCC(F)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H27FO2/c1-3-4-5-6-7-8-9-16(19)14-18(20)15-10-12-17(21-2)13-11-15/h10-13,16H,3-9,14H2,1-2H3
InChIKeyHYNSSELIIHMYJP-UHFFFAOYSA-N
MW294.41 g/mol
LogP5.36
Rot. Bonds11

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

3-fluoro-1-(4-methoxyphenyl)undecan-1-one (PubChem CID 22934232) has the molecular formula C18H27FO2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-fluoro-1-(4-methoxyphenyl)undecan-1-one.

Molecular Properties

Compound Name3-fluoro-1-(4-methoxyphenyl)undecan-1-one
PubChem CID22934232
Molecular FormulaC18H27FO2
Molecular Weight294.41 g/mol
Exact Mass294.20
IUPAC Name3-fluoro-1-(4-methoxyphenyl)undecan-1-one
SMILESCCCCCCCCC(F)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H27FO2/c1-3-4-5-6-7-8-9-16(19)14-18(20)15-10-12-17(21-2)13-11-15/h10-13,16H,3-9,14H2,1-2H3
InChIKeyHYNSSELIIHMYJP-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
3-bromo-1-(4-methoxyphenyl)heptan-1-one
CID 22934236
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
CID 102140123
ethyl 2-(4-methoxybenzoyl)octanoate
CID 71505430
ethyl 2-(dodecanoylamino)-4-(4-methoxyphenyl)-4-oxobutanoate
CID 11750865
(3S)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)heptan-1-one
CID 101470095
methyl 3-fluorononanoate
CID 57115724
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(4-methoxyphenyl)-2-pentylsulfanylethanone
CID 107752497
(3R,4S)-4-fluoro-3-hydroxy-1-(4-methoxyphenyl)-5-methylhexan-1-one
CID 177446703
2-(4-methoxyphenyl)pentadec-1-ene-4-thiol
CID 175545483

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-methoxyphenyl)undecan-1-one?
The IUPAC name of 3-fluoro-1-(4-methoxyphenyl)undecan-1-one (CID 22934232) is 3-fluoro-1-(4-methoxyphenyl)undecan-1-one.
What is the SMILES notation for 3-fluoro-1-(4-methoxyphenyl)undecan-1-one?
The canonical SMILES for 3-fluoro-1-(4-methoxyphenyl)undecan-1-one is CCCCCCCCC(F)CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-fluoro-1-(4-methoxyphenyl)undecan-1-one?
The InChIKey is HYNSSELIIHMYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO2/c1-3-4-5-6-7-8-9-16(19)14-18(20)15-10-12-17(21-2)13-11-15/h10-13,16H,3-9,14H2,1-2H3.
What are the key properties of 3-fluoro-1-(4-methoxyphenyl)undecan-1-one?
3-fluoro-1-(4-methoxyphenyl)undecan-1-one has a molecular weight of 294.41 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-methoxyphenyl)undecan-1-one is sourced from PubChem (CID 22934232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).