5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid

C11H12ClFO3 — CID 82086344

IUPAC5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCc1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFO3/c12-9-2-1-3-10(13)8(9)5-4-7(14)6-11(15)16/h1-3,7,14H,4-6H2,(H,15,16)
InChIKeyHEPMLVYSXNTZRC-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.25
Rot. Bonds5

About 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid

5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid (PubChem CID 82086344) has the molecular formula C11H12ClFO3 and a molecular weight of 246.66 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid
PubChem CID82086344
Molecular FormulaC11H12ClFO3
Molecular Weight246.66 g/mol
Exact Mass246.05
IUPAC Name5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCc1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFO3/c12-9-2-1-3-10(13)8(9)5-4-7(14)6-11(15)16/h1-3,7,14H,4-6H2,(H,15,16)
InChIKeyHEPMLVYSXNTZRC-UHFFFAOYSA-N
XLogP2.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
2-[(2-chloro-6-fluorophenyl)methylamino]butanedioic acid
CID 82364517
4-(2-chloro-6-fluorophenyl)-3-cyclopropylbutanoic acid
CID 82089060
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]butanedioic acid
CID 78910306
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid
CID 62962230
2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol
CID 83925228
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
CID 82158643
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid (CID 82086344) is 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid is O=C(O)CC(O)CCc1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid?
The InChIKey is HEPMLVYSXNTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3/c12-9-2-1-3-10(13)8(9)5-4-7(14)6-11(15)16/h1-3,7,14H,4-6H2,(H,15,16).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid?
5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid has a molecular weight of 246.66 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid is sourced from PubChem (CID 82086344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).