2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid

C19H22O4 — CID 133241431

IUPAC2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid
SMILESCC(C)COC(Cc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C19H22O4/c1-14(2)13-22-18(19(20)21)12-15-8-6-7-11-17(15)23-16-9-4-3-5-10-16/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeySDISJHSIKMBGNC-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.15
Rot. Bonds8

About 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid

2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid (PubChem CID 133241431) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid
PubChem CID133241431
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid
SMILESCC(C)COC(Cc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C19H22O4/c1-14(2)13-22-18(19(20)21)12-15-8-6-7-11-17(15)23-16-9-4-3-5-10-16/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeySDISJHSIKMBGNC-UHFFFAOYSA-N
XLogP4.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
CID 133245285
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-propoxypropanoic acid
CID 100550485
[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate
CID 90300615
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100543995
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide
CID 94087991
3-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133241357

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid?
The IUPAC name of 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid (CID 133241431) is 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid is CC(C)COC(Cc1ccccc1Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid?
The InChIKey is SDISJHSIKMBGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-14(2)13-22-18(19(20)21)12-15-8-6-7-11-17(15)23-16-9-4-3-5-10-16/h3-11,14,18H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid?
2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 133241431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).