ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one

C11H15FO2 — CID 161428232

IUPACethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
SMILESCC.CCC(=O)c1c(O)cccc1F
InChIInChI=1S/C9H9FO2.C2H6/c1-2-7(11)9-6(10)4-3-5-8(9)12;1-2/h3-5,12H,2H2,1H3;1-2H3
InChIKeyVXQUGVYRMWQHQM-UHFFFAOYSA-N
MW198.24 g/mol
LogP3.15
Rot. Bonds2

About ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one

ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one (PubChem CID 161428232) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
PubChem CID161428232
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Nameethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
SMILESCC.CCC(=O)c1c(O)cccc1F
InChIInChI=1S/C9H9FO2.C2H6/c1-2-7(11)9-6(10)4-3-5-8(9)12;1-2/h3-5,12H,2H2,1H3;1-2H3
InChIKeyVXQUGVYRMWQHQM-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
2-fluoro-6-hydroxybenzamide
CID 15219200
1-(6-fluoro-2,3-dimethylphenyl)propan-1-one
CID 123216967
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
CID 43796826
1-(3-fluoro-2-iodophenyl)propan-1-one
CID 118798307
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one?
The IUPAC name of ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one (CID 161428232) is ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one.
What is the SMILES notation for ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one?
The canonical SMILES for ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one is CC.CCC(=O)c1c(O)cccc1F.
What is the InChIKey of ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one?
The InChIKey is VXQUGVYRMWQHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2.C2H6/c1-2-7(11)9-6(10)4-3-5-8(9)12;1-2/h3-5,12H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one?
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one has a molecular weight of 198.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 161428232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).