(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid

C20H24O3 — CID 100530432

IUPAC(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
SMILESCCc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1
InChIInChI=1S/C20H24O3/c1-4-15-9-11-16(12-10-15)13-19(20(21)22)23-18-8-6-5-7-17(18)14(2)3/h5-12,14,19H,4,13H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyPKYUBTKDQUFCRD-LJQANCHMSA-N
MW312.41 g/mol
LogP4.45
Rot. Bonds7

About (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid

(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid (PubChem CID 100530432) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
PubChem CID100530432
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
SMILESCCc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1
InChIInChI=1S/C20H24O3/c1-4-15-9-11-16(12-10-15)13-19(20(21)22)23-18-8-6-5-7-17(18)14(2)3/h5-12,14,19H,4,13H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyPKYUBTKDQUFCRD-LJQANCHMSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(4-butylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100549023
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
3-(2,6-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 133150505
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100527362
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
2-[2-[(1R)-1-aminoethyl]phenoxy]butanoic acid
CID 78996826
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid (CID 100530432) is (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid is CCc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
The InChIKey is PKYUBTKDQUFCRD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24O3/c1-4-15-9-11-16(12-10-15)13-19(20(21)22)23-18-8-6-5-7-17(18)14(2)3/h5-12,14,19H,4,13H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 100530432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).