(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid

C25H20O4 — CID 100545011

IUPAC(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H20O4/c26-25(27)24(29-23-15-12-19-6-4-5-7-20(19)17-23)16-18-10-13-22(14-11-18)28-21-8-2-1-3-9-21/h1-15,17,24H,16H2,(H,26,27)/t24-/m1/s1
InChIKeyYYMHRZXRZAPJDY-XMMPIXPASA-N
MW384.43 g/mol
LogP5.71
Rot. Bonds7

About (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid

(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid (PubChem CID 100545011) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
PubChem CID100545011
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H20O4/c26-25(27)24(29-23-15-12-19-6-4-5-7-20(19)17-23)16-18-10-13-22(14-11-18)28-21-8-2-1-3-9-21/h1-15,17,24H,16H2,(H,26,27)/t24-/m1/s1
InChIKeyYYMHRZXRZAPJDY-XMMPIXPASA-N
XLogP5.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
(2S)-2-(3,4-dimethylphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544971
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241307
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
3-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241367
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid (CID 100545011) is (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid is O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid?
The InChIKey is YYMHRZXRZAPJDY-XMMPIXPASA-N. The full InChI is InChI=1S/C25H20O4/c26-25(27)24(29-23-15-12-19-6-4-5-7-20(19)17-23)16-18-10-13-22(14-11-18)28-21-8-2-1-3-9-21/h1-15,17,24H,16H2,(H,26,27)/t24-/m1/s1.
What are the key properties of (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid?
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid has a molecular weight of 384.43 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 100545011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).