(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid

C14H20O4 — CID 100543995

IUPAC(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCCOc1ccccc1C[C@@H](OC(C)C)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-17-12-8-6-5-7-11(12)9-13(14(15)16)18-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeySEAAPRJAYDRAMF-CYBMUJFWSA-N
MW252.31 g/mol
LogP2.51
Rot. Bonds7

About (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid

(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid (PubChem CID 100543995) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
PubChem CID100543995
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCCOc1ccccc1C[C@@H](OC(C)C)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-17-12-8-6-5-7-11(12)9-13(14(15)16)18-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeySEAAPRJAYDRAMF-CYBMUJFWSA-N
XLogP2.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2S)-2-(4-chlorophenyl)sulfanyl-3-(2-ethoxyphenyl)propanoic acid
CID 100543923
2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955898
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid
CID 67781652
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid?
The IUPAC name of (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid (CID 100543995) is (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid.
What is the SMILES notation for (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid?
The canonical SMILES for (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid is CCOc1ccccc1C[C@@H](OC(C)C)C(=O)O.
What is the InChIKey of (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid?
The InChIKey is SEAAPRJAYDRAMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-17-12-8-6-5-7-11(12)9-13(14(15)16)18-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid?
(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid is sourced from PubChem (CID 100543995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).