1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone

C18H19FO3 — CID 158011620

IUPAC1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
SMILESCCCCc1ccc(Oc2ccc(C(=O)CO)cc2F)cc1
InChIInChI=1S/C18H19FO3/c1-2-3-4-13-5-8-15(9-6-13)22-18-10-7-14(11-16(18)19)17(21)12-20/h5-11,20H,2-4,12H2,1H3
InChIKeyFEYLDIWRVCYYSK-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.14
Rot. Bonds7

About 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone

1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone (PubChem CID 158011620) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
PubChem CID158011620
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
SMILESCCCCc1ccc(Oc2ccc(C(=O)CO)cc2F)cc1
InChIInChI=1S/C18H19FO3/c1-2-3-4-13-5-8-15(9-6-13)22-18-10-7-14(11-16(18)19)17(21)12-20/h5-11,20H,2-4,12H2,1H3
InChIKeyFEYLDIWRVCYYSK-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
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1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
2-amino-2-[2-[4-(4-butylphenoxy)-3-fluorophenyl]ethyl]propane-1,3-diol
CID 102224577
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
CID 104629499
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
(4-butylphenyl) 3-fluoro-4-pentoxybenzoate
CID 71386435
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]propan-1-one
CID 162250472
3-hydroxy-4-(4-pentylphenoxy)benzamide
CID 166015390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone (CID 158011620) is 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone is CCCCc1ccc(Oc2ccc(C(=O)CO)cc2F)cc1.
What is the InChIKey of 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone?
The InChIKey is FEYLDIWRVCYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-2-3-4-13-5-8-15(9-6-13)22-18-10-7-14(11-16(18)19)17(21)12-20/h5-11,20H,2-4,12H2,1H3.
What are the key properties of 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone?
1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone has a molecular weight of 302.35 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone is sourced from PubChem (CID 158011620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).