9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid

C19H28O6 — CID 18795798

IUPAC9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccccc1OCCCC(=O)O
InChIInChI=1S/C19H28O6/c20-18(21)12-5-3-1-2-4-8-14-24-16-10-6-7-11-17(16)25-15-9-13-19(22)23/h6-7,10-11H,1-5,8-9,12-15H2,(H,20,21)(H,22,23)
InChIKeyLEINAVWJPMEEOJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.12
Rot. Bonds15

About 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid

9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid (PubChem CID 18795798) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid.

Molecular Properties

Compound Name9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
PubChem CID18795798
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
SMILESO=C(O)CCCCCCCCOc1ccccc1OCCCC(=O)O
InChIInChI=1S/C19H28O6/c20-18(21)12-5-3-1-2-4-8-14-24-16-10-6-7-11-17(16)25-15-9-13-19(22)23/h6-7,10-11H,1-5,8-9,12-15H2,(H,20,21)(H,22,23)
InChIKeyLEINAVWJPMEEOJ-UHFFFAOYSA-N
XLogP4.12
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[2-(3-carboxypropoxy)phenoxy]nonanoic 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

11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
7-(2-methylphenoxy)heptanoic acid
CID 92930643
7-(2-bromophenoxy)heptanoic acid
CID 39423766
9-phenoxynonanoic acid
CID 15887638
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
6-[2-(5-carboxypentoxy)anilino]hexanoic acid
CID 69475364
2-(3-carboxypropoxy)benzoic acid
CID 14661645
11-[2-(10-carboxylatodecoxy)phenoxy]undecanoate
CID 100934303
11-[2-(3-carboxypropoxy)-6-methylphenoxy]undecanoic acid
CID 18796148
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
17-[2-(3-carboxypropoxy)phenyl]sulfanylheptadecanoic acid
CID 18795828
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid?
The IUPAC name of 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid (CID 18795798) is 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid.
What is the SMILES notation for 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid?
The canonical SMILES for 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid is O=C(O)CCCCCCCCOc1ccccc1OCCCC(=O)O.
What is the InChIKey of 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid?
The InChIKey is LEINAVWJPMEEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c20-18(21)12-5-3-1-2-4-8-14-24-16-10-6-7-11-17(16)25-15-9-13-19(22)23/h6-7,10-11H,1-5,8-9,12-15H2,(H,20,21)(H,22,23).
What are the key properties of 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid?
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid has a molecular weight of 352.43 g/mol, XLogP of 4.12, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid is sourced from PubChem (CID 18795798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).