1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one

C11H12ClFO2 — CID 106677676

IUPAC1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c12-10-5-1-3-8(11(10)13)7-9(15)4-2-6-14/h1,3,5,14H,2,4,6-7H2
InChIKeyWGELRNAIONPPED-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.36
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one

1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one (PubChem CID 106677676) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one
PubChem CID106677676
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c12-10-5-1-3-8(11(10)13)7-9(15)4-2-6-14/h1,3,5,14H,2,4,6-7H2
InChIKeyWGELRNAIONPPED-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Chlorophenyl)propanoic acid
CID 177164
3-(3-Chlorophenyl)-2-oxopropanoic acid
CID 10465352
2-(3-Chlorophenyl)-2-fluoroacetic acid
CID 12602114
1-(4-Chlorophenyl)-5-hydroxyoctan-3-one
CID 156014244
2-(3-Chloro-5-fluorophenyl)acetic acid
CID 2734837
4-(3-Chloro-4-fluorophenyl)-4-oxobutanoic acid
CID 2757588
3-Chloro-2-fluorophenylacetic acid
CID 2773720
2-(3-Chloro-4-fluorophenyl)acetic acid
CID 2773721
5-Chloro-2-fluorophenylacetic acid
CID 2773723
3-(3-Chloro-4-fluorophenyl)propanoic acid
CID 3503171
2-(3-Chloro-4-fluorophenyl)propanoic acid
CID 79803120
2-(3-Chloro-2-fluorophenyl)-2,2-difluoroacetic acid
CID 83107379

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one (CID 106677676) is 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one is O=C(CCCO)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one?
The InChIKey is WGELRNAIONPPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-10-5-1-3-8(11(10)13)7-9(15)4-2-6-14/h1,3,5,14H,2,4,6-7H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one?
1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one has a molecular weight of 230.67 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-hydroxypentan-2-one is sourced from PubChem (CID 106677676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).