2-ethoxy-2-(2-phenoxyethyl)nonanoic acid

C19H30O4 — CID 151537515

IUPAC2-ethoxy-2-(2-phenoxyethyl)nonanoic acid
SMILESCCCCCCCC(CCOc1ccccc1)(OCC)C(=O)O
InChIInChI=1S/C19H30O4/c1-3-5-6-7-11-14-19(18(20)21,23-4-2)15-16-22-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,20,21)
InChIKeyPXTVBBCWKQAIFQ-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.68
Rot. Bonds13

About 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid

2-ethoxy-2-(2-phenoxyethyl)nonanoic acid (PubChem CID 151537515) has the molecular formula C19H30O4 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-(2-phenoxyethyl)nonanoic acid
PubChem CID151537515
Molecular FormulaC19H30O4
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name2-ethoxy-2-(2-phenoxyethyl)nonanoic acid
SMILESCCCCCCCC(CCOc1ccccc1)(OCC)C(=O)O
InChIInChI=1S/C19H30O4/c1-3-5-6-7-11-14-19(18(20)21,23-4-2)15-16-22-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,20,21)
InChIKeyPXTVBBCWKQAIFQ-UHFFFAOYSA-N
XLogP4.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.68
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-pentyl-2-phenoxyheptanoic acid
CID 150989456
1-phenoxytridecan-3-one
CID 63411817
pentoxybenzene;undecane
CID 174778179
2-phenoxyethyl pentadecanoate
CID 21424175
2-phenoxyethyl undecanoate
CID 54508523
acetic acid;butoxybenzene
CID 162338086
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
2-ethoxy-2-(1-phenoxyethyl)octadecanoic acid
CID 174802607
(Z)-2-ethyl-2-phenoxyoctadec-9-enoic acid
CID 67329691
2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid
CID 122610864
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid?
The IUPAC name of 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid (CID 151537515) is 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid.
What is the SMILES notation for 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid?
The canonical SMILES for 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid is CCCCCCCC(CCOc1ccccc1)(OCC)C(=O)O.
What is the InChIKey of 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid?
The InChIKey is PXTVBBCWKQAIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-3-5-6-7-11-14-19(18(20)21,23-4-2)15-16-22-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3,(H,20,21).
What are the key properties of 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid?
2-ethoxy-2-(2-phenoxyethyl)nonanoic acid has a molecular weight of 322.44 g/mol, XLogP of 4.68, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(2-phenoxyethyl)nonanoic acid is sourced from PubChem (CID 151537515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).