2-hydroxy-5-(4-methylphenoxy)pentanoic acid

C12H16O4 — CID 69033071

IUPAC2-hydroxy-5-(4-methylphenoxy)pentanoic acid
SMILESCc1ccc(OCCCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-9-4-6-10(7-5-9)16-8-2-3-11(13)12(14)15/h4-7,11,13H,2-3,8H2,1H3,(H,14,15)
InChIKeyGONOTBMQGRWZQU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.60
Rot. Bonds6

About 2-hydroxy-5-(4-methylphenoxy)pentanoic acid

2-hydroxy-5-(4-methylphenoxy)pentanoic acid (PubChem CID 69033071) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-hydroxy-5-(4-methylphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(4-methylphenoxy)pentanoic acid
PubChem CID69033071
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-hydroxy-5-(4-methylphenoxy)pentanoic acid
SMILESCc1ccc(OCCCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-9-4-6-10(7-5-9)16-8-2-3-11(13)12(14)15/h4-7,11,13H,2-3,8H2,1H3,(H,14,15)
InChIKeyGONOTBMQGRWZQU-UHFFFAOYSA-N
XLogP1.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid
CID 19878772
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid
CID 174172216
8-(4-chlorophenoxy)-2-(4-methylphenoxy)octanoic acid
CID 19878843
2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid
CID 82136618
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
3-[4-[3-[4-(2-carboxy-2-hydroxyethyl)phenoxy]propoxy]phenyl]-2-hydroxypropanoic acid
CID 141111710
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
2-[3-(4-chlorophenoxy)propyl]propanedioic acid
CID 131842659
5-(4-methylphenoxy)pentane-2-thiol
CID 57005602
5-(4-methylphenoxy)pentan-2-yl prop-2-enoate
CID 23527604
(2R)-2-amino-4-[2-(4-methylphenoxy)ethylamino]butanoic acid
CID 166106849

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-methylphenoxy)pentanoic acid?
The IUPAC name of 2-hydroxy-5-(4-methylphenoxy)pentanoic acid (CID 69033071) is 2-hydroxy-5-(4-methylphenoxy)pentanoic acid.
What is the SMILES notation for 2-hydroxy-5-(4-methylphenoxy)pentanoic acid?
The canonical SMILES for 2-hydroxy-5-(4-methylphenoxy)pentanoic acid is Cc1ccc(OCCCC(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-5-(4-methylphenoxy)pentanoic acid?
The InChIKey is GONOTBMQGRWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9-4-6-10(7-5-9)16-8-2-3-11(13)12(14)15/h4-7,11,13H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-5-(4-methylphenoxy)pentanoic acid?
2-hydroxy-5-(4-methylphenoxy)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-methylphenoxy)pentanoic acid is sourced from PubChem (CID 69033071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).