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

C18H20O4 — CID 54214369

IUPAC(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCC(C)c1ccc(O[C@H](Cc2ccc(O)cc2)C(=O)O)cc1
InChIInChI=1S/C18H20O4/c1-12(2)14-5-9-16(10-6-14)22-17(18(20)21)11-13-3-7-15(19)8-4-13/h3-10,12,17,19H,11H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyPYCUJADTPIJMPT-QGZVFWFLSA-N
MW300.35 g/mol
LogP3.59
Rot. Bonds6

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

(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid (PubChem CID 54214369) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
PubChem CID54214369
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCC(C)c1ccc(O[C@H](Cc2ccc(O)cc2)C(=O)O)cc1
InChIInChI=1S/C18H20O4/c1-12(2)14-5-9-16(10-6-14)22-17(18(20)21)11-13-3-7-15(19)8-4-13/h3-10,12,17,19H,11H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyPYCUJADTPIJMPT-QGZVFWFLSA-N
XLogP3.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
CID 91594906
(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100531124
(2S)-2-(3,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100530945
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 100531315
2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
CID 69203842
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid (CID 54214369) is (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid is CC(C)c1ccc(O[C@H](Cc2ccc(O)cc2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
The InChIKey is PYCUJADTPIJMPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20O4/c1-12(2)14-5-9-16(10-6-14)22-17(18(20)21)11-13-3-7-15(19)8-4-13/h3-10,12,17,19H,11H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid?
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 54214369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).