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

C17H25FO2 — CID 114966463

IUPAC1-(4-fluoro-3-methoxyphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H25FO2/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13H,3-10H2,1-2H3
InChIKeyHRXYCRBTOKIGJI-UHFFFAOYSA-N
MW280.38 g/mol
LogP5.16
Rot. Bonds10

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

1-(4-fluoro-3-methoxyphenyl)decan-1-one (PubChem CID 114966463) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)decan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)decan-1-one
PubChem CID114966463
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name1-(4-fluoro-3-methoxyphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H25FO2/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13H,3-10H2,1-2H3
InChIKeyHRXYCRBTOKIGJI-UHFFFAOYSA-N
XLogP5.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.38
LogP ≤ 55.16
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-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
1-(4-fluoro-3-methoxyphenyl)-4-methoxybutan-1-one
CID 115815632
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
1-(3,4-difluorophenyl)heptan-1-one
CID 62622808
1-(4-fluoro-3-methylphenyl)octan-1-one
CID 55186778
1-(3-chloro-4-methoxyphenyl)heptan-1-one
CID 114752126
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
ethyl 4-(4-fluoro-3-methoxyphenyl)-4-oxobutanoate
CID 114016246
2-(4-hexanoyl-2-methoxyphenoxy)acetic acid
CID 154164462
1-(3-fluoro-4-methylphenyl)decan-1-one
CID 55186019
1-(4-hydroxy-3-methoxyphenyl)nonadec-10-en-1-one
CID 68578323
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)decan-1-one?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)decan-1-one (CID 114966463) is 1-(4-fluoro-3-methoxyphenyl)decan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)decan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)decan-1-one is CCCCCCCCCC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)decan-1-one?
The InChIKey is HRXYCRBTOKIGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)decan-1-one?
1-(4-fluoro-3-methoxyphenyl)decan-1-one has a molecular weight of 280.38 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)decan-1-one is sourced from PubChem (CID 114966463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).