2-[4-(1-phenylpropyl)phenoxy]acetic acid

C17H18O3 — CID 101304213

IUPAC2-[4-(1-phenylpropyl)phenoxy]acetic acid
SMILESCCC(c1ccccc1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-2-16(13-6-4-3-5-7-13)14-8-10-15(11-9-14)20-12-17(18)19/h3-11,16H,2,12H2,1H3,(H,18,19)
InChIKeyFTEVBAKHQPYGMF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-(1-phenylpropyl)phenoxy]acetic acid

2-[4-(1-phenylpropyl)phenoxy]acetic acid (PubChem CID 101304213) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-(1-phenylpropyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(1-phenylpropyl)phenoxy]acetic acid
PubChem CID101304213
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[4-(1-phenylpropyl)phenoxy]acetic acid
SMILESCCC(c1ccccc1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-2-16(13-6-4-3-5-7-13)14-8-10-15(11-9-14)20-12-17(18)19/h3-11,16H,2,12H2,1H3,(H,18,19)
InChIKeyFTEVBAKHQPYGMF-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[phenyl(sulfanyl)methyl]phenoxy]acetic acid
CID 10989451
3-[4-(carboxymethoxy)phenyl]pentanoic acid
CID 101226373
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
chloromethane;2-phenoxyacetic acid
CID 157255542
2-phenoxyacetic acid;titanium
CID 174896747
oxalic acid;1-phenylpropylbenzene
CID 67824543
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[4-(2-ethylbutyl)phenoxy]acetic acid
CID 70838941
2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
CID 173328549
2-[4-(1,3-dioxopropan-2-yl)phenoxy]acetic acid
CID 90967444
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylpropyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(1-phenylpropyl)phenoxy]acetic acid (CID 101304213) is 2-[4-(1-phenylpropyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(1-phenylpropyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(1-phenylpropyl)phenoxy]acetic acid is CCC(c1ccccc1)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-phenylpropyl)phenoxy]acetic acid?
The InChIKey is FTEVBAKHQPYGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-16(13-6-4-3-5-7-13)14-8-10-15(11-9-14)20-12-17(18)19/h3-11,16H,2,12H2,1H3,(H,18,19).
What are the key properties of 2-[4-(1-phenylpropyl)phenoxy]acetic acid?
2-[4-(1-phenylpropyl)phenoxy]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpropyl)phenoxy]acetic acid is sourced from PubChem (CID 101304213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).