2-(3-ethoxy-4-pentoxyphenyl)acetic acid

C15H22O4 — CID 7139429

IUPAC2-(3-ethoxy-4-pentoxyphenyl)acetic acid
SMILESCCCCCOc1ccc(CC(=O)O)cc1OCC
InChIInChI=1S/C15H22O4/c1-3-5-6-9-19-13-8-7-12(11-15(16)17)10-14(13)18-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,16,17)
InChIKeyOEWDDWDENIEHOJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.28
Rot. Bonds9

About 2-(3-ethoxy-4-pentoxyphenyl)acetic acid

2-(3-ethoxy-4-pentoxyphenyl)acetic acid (PubChem CID 7139429) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-ethoxy-4-pentoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxy-4-pentoxyphenyl)acetic acid
PubChem CID7139429
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-(3-ethoxy-4-pentoxyphenyl)acetic acid
SMILESCCCCCOc1ccc(CC(=O)O)cc1OCC
InChIInChI=1S/C15H22O4/c1-3-5-6-9-19-13-8-7-12(11-15(16)17)10-14(13)18-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,16,17)
InChIKeyOEWDDWDENIEHOJ-UHFFFAOYSA-N
XLogP3.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.28
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-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
1-(4-butoxy-3-ethoxyphenyl)butan-2-one
CID 82160747
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
methyl 2-(3,4-dioctoxyphenyl)acetate
CID 22938281
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
4-(3,4-dihexadecoxyphenyl)butanoic acid
CID 70560889
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
4-[2-(3-ethoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 9151980
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
3,4-di(tridecoxy)benzoic acid
CID 66940296
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-pentoxyphenyl)acetic acid?
The IUPAC name of 2-(3-ethoxy-4-pentoxyphenyl)acetic acid (CID 7139429) is 2-(3-ethoxy-4-pentoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-ethoxy-4-pentoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-ethoxy-4-pentoxyphenyl)acetic acid is CCCCCOc1ccc(CC(=O)O)cc1OCC.
What is the InChIKey of 2-(3-ethoxy-4-pentoxyphenyl)acetic acid?
The InChIKey is OEWDDWDENIEHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-6-9-19-13-8-7-12(11-15(16)17)10-14(13)18-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-ethoxy-4-pentoxyphenyl)acetic acid?
2-(3-ethoxy-4-pentoxyphenyl)acetic acid has a molecular weight of 266.34 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-pentoxyphenyl)acetic acid is sourced from PubChem (CID 7139429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).