2-(4-nonanoylphenoxy)acetic acid

C17H24O4 — CID 139757126

IUPAC2-(4-nonanoylphenoxy)acetic acid
SMILESCCCCCCCCC(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-16(18)14-9-11-15(12-10-14)21-13-17(19)20/h9-12H,2-8,13H2,1H3,(H,19,20)
InChIKeyUDVDZGRZIITSCD-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.08
Rot. Bonds11

About 2-(4-nonanoylphenoxy)acetic acid

2-(4-nonanoylphenoxy)acetic acid (PubChem CID 139757126) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(4-nonanoylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-nonanoylphenoxy)acetic acid
PubChem CID139757126
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name2-(4-nonanoylphenoxy)acetic acid
SMILESCCCCCCCCC(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-16(18)14-9-11-15(12-10-14)21-13-17(19)20/h9-12H,2-8,13H2,1H3,(H,19,20)
InChIKeyUDVDZGRZIITSCD-UHFFFAOYSA-N
XLogP4.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-decanoylphenoxy)acetic acid
CID 606645
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
2-(4-octylphenoxy)acetic acid
CID 27145
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
2-(4-hexanoyl-2-methoxyphenoxy)acetic acid
CID 154164462

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonanoylphenoxy)acetic acid?
The IUPAC name of 2-(4-nonanoylphenoxy)acetic acid (CID 139757126) is 2-(4-nonanoylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-nonanoylphenoxy)acetic acid?
The canonical SMILES for 2-(4-nonanoylphenoxy)acetic acid is CCCCCCCCC(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-(4-nonanoylphenoxy)acetic acid?
The InChIKey is UDVDZGRZIITSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-16(18)14-9-11-15(12-10-14)21-13-17(19)20/h9-12H,2-8,13H2,1H3,(H,19,20).
What are the key properties of 2-(4-nonanoylphenoxy)acetic acid?
2-(4-nonanoylphenoxy)acetic acid has a molecular weight of 292.38 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonanoylphenoxy)acetic acid is sourced from PubChem (CID 139757126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).