2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid

C12H15FO3 — CID 79419065

IUPAC2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
SMILESO=C(O)C(CCCO)Cc1ccccc1F
InChIInChI=1S/C12H15FO3/c13-11-6-2-1-4-9(11)8-10(12(15)16)5-3-7-14/h1-2,4,6,10,14H,3,5,7-8H2,(H,15,16)
InChIKeyRXZCCMKBUFTHPL-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.84
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid

2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid (PubChem CID 79419065) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
PubChem CID79419065
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
SMILESO=C(O)C(CCCO)Cc1ccccc1F
InChIInChI=1S/C12H15FO3/c13-11-6-2-1-4-9(11)8-10(12(15)16)5-3-7-14/h1-2,4,6,10,14H,3,5,7-8H2,(H,15,16)
InChIKeyRXZCCMKBUFTHPL-UHFFFAOYSA-N
XLogP1.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590740
2-[(2-fluorophenyl)methyl]-5-methylhex-5-enoic acid
CID 114473256
5-amino-2-[(2-fluorophenyl)methyl]-4-oxopentanoic acid
CID 159454907
2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoic acid
CID 19604203
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
4-amino-2-[(2,3-difluorophenyl)methyl]butanoic acid
CID 104680993
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid (CID 79419065) is 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid is O=C(O)C(CCCO)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid?
The InChIKey is RXZCCMKBUFTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c13-11-6-2-1-4-9(11)8-10(12(15)16)5-3-7-14/h1-2,4,6,10,14H,3,5,7-8H2,(H,15,16).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid?
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid has a molecular weight of 226.25 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid is sourced from PubChem (CID 79419065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).