2-ethoxycarbonyl-5-phenoxypentanoic acid

C14H18O5 — CID 54066512

IUPAC2-ethoxycarbonyl-5-phenoxypentanoic acid
SMILESCCOC(=O)C(CCCOc1ccccc1)C(=O)O
InChIInChI=1S/C14H18O5/c1-2-18-14(17)12(13(15)16)9-6-10-19-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16)
InChIKeyMDJQUJUFFVDQEB-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.11
Rot. Bonds8

About 2-ethoxycarbonyl-5-phenoxypentanoic acid

2-ethoxycarbonyl-5-phenoxypentanoic acid (PubChem CID 54066512) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-ethoxycarbonyl-5-phenoxypentanoic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-5-phenoxypentanoic acid
PubChem CID54066512
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-ethoxycarbonyl-5-phenoxypentanoic acid
SMILESCCOC(=O)C(CCCOc1ccccc1)C(=O)O
InChIInChI=1S/C14H18O5/c1-2-18-14(17)12(13(15)16)9-6-10-19-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16)
InChIKeyMDJQUJUFFVDQEB-UHFFFAOYSA-N
XLogP2.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809
diethyl 2-[3-(4-chlorophenoxy)propyl]propanedioate
CID 2232654
2-butan-2-yloxycarbonyl-6-phenoxyhexanoic acid
CID 70556518
2-ethyl-5-phenoxypentanoic acid
CID 62936111
diethyl 2-[3-(3,5-dimethylphenoxy)propyl]propanedioate
CID 2843530
2-ethoxycarbonyl-7-phenyloctanoic acid
CID 54027048
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
2-(2-phenoxyethyl)hexanoic acid
CID 154500059
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate
CID 63039473
diethyl 2-[5-(4-fluorophenoxy)pentyl]propanedioate
CID 5011278
acetic acid;butoxybenzene
CID 162338086
2,3-dimethyl-6-phenoxyhexanoic acid
CID 81008154

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-5-phenoxypentanoic acid?
The IUPAC name of 2-ethoxycarbonyl-5-phenoxypentanoic acid (CID 54066512) is 2-ethoxycarbonyl-5-phenoxypentanoic acid.
What is the SMILES notation for 2-ethoxycarbonyl-5-phenoxypentanoic acid?
The canonical SMILES for 2-ethoxycarbonyl-5-phenoxypentanoic acid is CCOC(=O)C(CCCOc1ccccc1)C(=O)O.
What is the InChIKey of 2-ethoxycarbonyl-5-phenoxypentanoic acid?
The InChIKey is MDJQUJUFFVDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-2-18-14(17)12(13(15)16)9-6-10-19-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16).
What are the key properties of 2-ethoxycarbonyl-5-phenoxypentanoic acid?
2-ethoxycarbonyl-5-phenoxypentanoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-5-phenoxypentanoic acid is sourced from PubChem (CID 54066512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).