1-[(4-fluorophenyl)methoxy]hexan-2-one

C13H17FO2 — CID 145231574

IUPAC1-[(4-fluorophenyl)methoxy]hexan-2-one
SMILESCCCCC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-2-3-4-13(15)10-16-9-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyKHRROYMABUSWJQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.10
Rot. Bonds7

About 1-[(4-fluorophenyl)methoxy]hexan-2-one

1-[(4-fluorophenyl)methoxy]hexan-2-one (PubChem CID 145231574) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]hexan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]hexan-2-one
PubChem CID145231574
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-[(4-fluorophenyl)methoxy]hexan-2-one
SMILESCCCCC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-2-3-4-13(15)10-16-9-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyKHRROYMABUSWJQ-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methoxy]pentan-2-one
CID 65126623
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
5-(dipentylamino)-1-[[3-[3-[[5-(dipentylamino)-2-oxopentoxy]methyl]phenyl]phenyl]methoxy]pentan-2-one
CID 139955664
5-methoxy-1-phenylmethoxypentan-2-one
CID 130933829
1-phenylmethoxy-1-tritiohexan-2-one
CID 157434845
5-[hexyl(octyl)amino]-1-[[3-[3-[[5-[hexyl(octyl)amino]-2-oxopentoxy]methyl]phenyl]phenyl]methoxy]pentan-2-one
CID 139954791
2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
(4-fluorophenyl)methyl 2-(hydroxymethyl)-2-methyl-3-pentanoyloxypropanoate
CID 122222006
(4-fluorophenyl)methyl acetate
CID 14793785
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
1-(4-hydroxyphenyl)heptan-3-one
CID 154262256
5-(diheptylamino)-1-[[2-[2-[[5-(diheptylamino)-2-oxopentoxy]methyl]phenyl]phenyl]methoxy]pentan-2-one
CID 139954737

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]hexan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]hexan-2-one (CID 145231574) is 1-[(4-fluorophenyl)methoxy]hexan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]hexan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]hexan-2-one is CCCCC(=O)COCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]hexan-2-one?
The InChIKey is KHRROYMABUSWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-3-4-13(15)10-16-9-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methoxy]hexan-2-one?
1-[(4-fluorophenyl)methoxy]hexan-2-one has a molecular weight of 224.28 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]hexan-2-one is sourced from PubChem (CID 145231574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).