1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one

C16H15FO3 — CID 63654138

IUPAC1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccccc1CO)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-11(16(19)12-6-8-14(17)9-7-12)20-15-5-3-2-4-13(15)10-18/h2-9,11,18H,10H2,1H3
InChIKeyNYKTZTVHKSQYCB-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one

1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one (PubChem CID 63654138) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
PubChem CID63654138
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
SMILESCC(Oc1ccccc1CO)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-11(16(19)12-6-8-14(17)9-7-12)20-15-5-3-2-4-13(15)10-18/h2-9,11,18H,10H2,1H3
InChIKeyNYKTZTVHKSQYCB-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
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1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
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4-[2-(hydroxymethyl)phenoxy]pentan-2-one
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2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
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diethyl 2-[2-(hydroxymethyl)phenoxy]propanedioate
CID 139661476
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62032368
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
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2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one (CID 63654138) is 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one is CC(Oc1ccccc1CO)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one?
The InChIKey is NYKTZTVHKSQYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11(16(19)12-6-8-14(17)9-7-12)20-15-5-3-2-4-13(15)10-18/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one?
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one has a molecular weight of 274.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one is sourced from PubChem (CID 63654138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).