2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid

C14H18O5 — CID 153492689

IUPAC2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid
SMILESCCCC(=O)OCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H18O5/c1-2-3-14(17)18-9-8-11-4-6-12(7-5-11)19-10-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyMHRLJVOEAOBPPK-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.04
Rot. Bonds8

About 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid

2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid (PubChem CID 153492689) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid
PubChem CID153492689
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid
SMILESCCCC(=O)OCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H18O5/c1-2-3-14(17)18-9-8-11-4-6-12(7-5-11)19-10-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyMHRLJVOEAOBPPK-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
2-(4-octylphenoxy)acetic acid
CID 27145
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523
1-(4-propylphenoxy)pentan-2-one
CID 62549961
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-(4-butoxyphenyl)ethyl 6-isocyanatohexanoate
CID 89019447

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid (CID 153492689) is 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid is CCCC(=O)OCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid?
The InChIKey is MHRLJVOEAOBPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-2-3-14(17)18-9-8-11-4-6-12(7-5-11)19-10-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid?
2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid has a molecular weight of 266.29 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butanoyloxyethyl)phenoxy]acetic acid is sourced from PubChem (CID 153492689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).