2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one

C15H21FO2 — CID 146008444

IUPAC2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1cccc(F)c1OC
InChIInChI=1S/C15H21FO2/c1-4-6-8-11(5-2)14(17)12-9-7-10-13(16)15(12)18-3/h7,9-11H,4-6,8H2,1-3H3
InChIKeyMULYVNOJMSKISK-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.23
Rot. Bonds7

About 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one

2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one (PubChem CID 146008444) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
PubChem CID146008444
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1cccc(F)c1OC
InChIInChI=1S/C15H21FO2/c1-4-6-8-11(5-2)14(17)12-9-7-10-13(16)15(12)18-3/h7,9-11H,4-6,8H2,1-3H3
InChIKeyMULYVNOJMSKISK-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-2-methoxyphenyl)-2-ethylhexan-1-one
CID 146006121
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
1-(2-chlorophenyl)-2-ethylhexan-1-one
CID 114963301
1-(2,3-dichlorophenyl)-2-ethylhexan-1-one
CID 114970417
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43339711
1-(2-chloro-3-fluorophenyl)-2-ethylbutan-1-one
CID 115785522
1-(2-chloro-3-pyridinyl)-2-ethylhexan-1-one
CID 91608208
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
CID 43162108

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one (CID 146008444) is 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one is CCCCC(CC)C(=O)c1cccc(F)c1OC.
What is the InChIKey of 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one?
The InChIKey is MULYVNOJMSKISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-4-6-8-11(5-2)14(17)12-9-7-10-13(16)15(12)18-3/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one?
2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one has a molecular weight of 252.33 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one is sourced from PubChem (CID 146008444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).