2-oxo-2-(3-phenylmethoxypropoxy)acetic acid

C12H14O5 — CID 90995825

IUPAC2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
SMILESO=C(O)C(=O)OCCCOCc1ccccc1
InChIInChI=1S/C12H14O5/c13-11(14)12(15)17-8-4-7-16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyFSIARYMHYQGEPW-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.22
Rot. Bonds6

About 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid

2-oxo-2-(3-phenylmethoxypropoxy)acetic acid (PubChem CID 90995825) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
PubChem CID90995825
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
SMILESO=C(O)C(=O)OCCCOCc1ccccc1
InChIInChI=1S/C12H14O5/c13-11(14)12(15)17-8-4-7-16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyFSIARYMHYQGEPW-UHFFFAOYSA-N
XLogP1.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
4-phenylmethoxybutyl 2,2-dimethylpropanoate
CID 56837525
3-phenylmethoxypropyl 4,4,5,5,5-pentafluoropentanoate
CID 91314753
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
acetic acid;butoxymethylbenzene
CID 139463153
4-O-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl] 1-O-(3-phenylmethoxypropyl) butanedioate
CID 88976024
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
3-phenylmethoxypropyl 2-[4-(3-phenylmethoxypropylsulfanyl)phenyl]acetate
CID 71286074
nonanoic acid;3-phenylmethoxypropyl octanoate
CID 168884740

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid?
The IUPAC name of 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid (CID 90995825) is 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid.
What is the SMILES notation for 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid?
The canonical SMILES for 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid is O=C(O)C(=O)OCCCOCc1ccccc1.
What is the InChIKey of 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid?
The InChIKey is FSIARYMHYQGEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c13-11(14)12(15)17-8-4-7-16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14).
What are the key properties of 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid?
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid has a molecular weight of 238.24 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(3-phenylmethoxypropoxy)acetic acid is sourced from PubChem (CID 90995825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).