1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one

C15H21FO — CID 107129986

IUPAC1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H21FO/c1-4-6-12(7-5-2)15(17)13-9-8-11(3)14(16)10-13/h8-10,12H,4-7H2,1-3H3
InChIKeyGHUQPSUSCBBECT-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.53
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one

1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one (PubChem CID 107129986) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
PubChem CID107129986
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H21FO/c1-4-6-12(7-5-2)15(17)13-9-8-11(3)14(16)10-13/h8-10,12H,4-7H2,1-3H3
InChIKeyGHUQPSUSCBBECT-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-fluoro-3-(3-fluoro-4-methylphenyl)-3-oxopropanoate
CID 88642220
1-(4-bromo-3-methylphenyl)-2-propylpentan-1-one
CID 146010752
1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one
CID 82984112
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742
3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 107129942
1-(3-fluoro-4-methylphenyl)decan-1-one
CID 55186019
5-amino-1-(3-fluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107129842
ethyl 2-(4-fluoro-3-methylbenzoyl)pentanoate
CID 83049789
methyl 4-(3-fluoro-4-methylphenyl)-3-methyl-4-oxobutanoate
CID 63644493
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454
1-(4-bromo-3-fluorophenyl)-2-ethylbutan-1-one
CID 115785666
2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 116707896

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one (CID 107129986) is 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one?
The InChIKey is GHUQPSUSCBBECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-4-6-12(7-5-2)15(17)13-9-8-11(3)14(16)10-13/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one?
1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one has a molecular weight of 236.33 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one is sourced from PubChem (CID 107129986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).