1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane

C12H16ClFO2 — CID 145146839

IUPAC1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane
SMILESCC.CCc1c(O)c(C(C)=O)cc(Cl)c1F
InChIInChI=1S/C10H10ClFO2.C2H6/c1-3-6-9(12)8(11)4-7(5(2)13)10(6)14;1-2/h4,14H,3H2,1-2H3;1-2H3
InChIKeyYLZALDKSIJUDGG-UHFFFAOYSA-N
MW246.71 g/mol
LogP3.98
Rot. Bonds2

About 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane

1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane (PubChem CID 145146839) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane
PubChem CID145146839
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane
SMILESCC.CCc1c(O)c(C(C)=O)cc(Cl)c1F
InChIInChI=1S/C10H10ClFO2.C2H6/c1-3-6-9(12)8(11)4-7(5(2)13)10(6)14;1-2/h4,14H,3H2,1-2H3;1-2H3
InChIKeyYLZALDKSIJUDGG-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone
CID 89425768
1-(3-chloro-5-ethyl-2-fluorophenyl)ethanone
CID 117289594
1-[3,5-dichloro-4-(chloromethyl)-2-hydroxyphenyl]ethanone
CID 23350188
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-(5-ethyl-2,3,4-trihydroxyphenyl)ethanone
CID 12958459
1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)ethanone
CID 84690721
1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
CID 102273469
4-chloro-3-ethyl-2-fluorobenzoic acid
CID 171366815
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
1-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propan-2-one
CID 84786403

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
The IUPAC name of 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane (CID 145146839) is 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane.
What is the SMILES notation for 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
The canonical SMILES for 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane is CC.CCc1c(O)c(C(C)=O)cc(Cl)c1F.
What is the InChIKey of 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
The InChIKey is YLZALDKSIJUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2.C2H6/c1-3-6-9(12)8(11)4-7(5(2)13)10(6)14;1-2/h4,14H,3H2,1-2H3;1-2H3.
What are the key properties of 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane has a molecular weight of 246.71 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane is sourced from PubChem (CID 145146839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).