(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid

C24H24O4 — CID 126455555

IUPAC(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid
SMILESO=C(O)[C@@H](CCCc1ccccc1)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24O4/c25-24(26)23(17-9-14-19-10-3-1-4-11-19)28-22-16-8-7-15-21(22)27-18-20-12-5-2-6-13-20/h1-8,10-13,15-16,23H,9,14,17-18H2,(H,25,26)/t23-/m1/s1
InChIKeyQCCNGXAHIGEJIA-HSZRJFAPSA-N
MW376.45 g/mol
LogP5.12
Rot. Bonds10

About (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid

(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid (PubChem CID 126455555) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid
PubChem CID126455555
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid
SMILESO=C(O)[C@@H](CCCc1ccccc1)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24O4/c25-24(26)23(17-9-14-19-10-3-1-4-11-19)28-22-16-8-7-15-21(22)27-18-20-12-5-2-6-13-20/h1-8,10-13,15-16,23H,9,14,17-18H2,(H,25,26)/t23-/m1/s1
InChIKeyQCCNGXAHIGEJIA-HSZRJFAPSA-N
XLogP5.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
2-(2-propoxyphenoxy)hexanoic acid
CID 113373450
4-bromo-2-(5-methyl-2-phenylmethoxyphenoxy)butanoic acid
CID 154940943
2-(2-propoxyphenoxy)hexadecanoic acid
CID 175401560
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
2-(2-benzoylphenoxy)-4-phenylbutanoic acid
CID 59214948
5-phenyl-2-(phosphorosomethyl)pentanoic acid
CID 172849260
2-(2-methoxyphenoxy)decanoic acid
CID 21317194
5-hydroxy-2-phenylmethoxypentanoic acid
CID 141073018
(2R)-2-azaniumyl-5-phenylpentanoate
CID 6993755
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308

Frequently Asked Questions

What is the IUPAC name of (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid?
The IUPAC name of (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid (CID 126455555) is (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid.
What is the SMILES notation for (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid?
The canonical SMILES for (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid is O=C(O)[C@@H](CCCc1ccccc1)Oc1ccccc1OCc1ccccc1.
What is the InChIKey of (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid?
The InChIKey is QCCNGXAHIGEJIA-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24O4/c25-24(26)23(17-9-14-19-10-3-1-4-11-19)28-22-16-8-7-15-21(22)27-18-20-12-5-2-6-13-20/h1-8,10-13,15-16,23H,9,14,17-18H2,(H,25,26)/t23-/m1/s1.
What are the key properties of (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid?
(2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid has a molecular weight of 376.45 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-phenyl-2-(2-phenylmethoxyphenoxy)pentanoic acid is sourced from PubChem (CID 126455555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).