(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid

C19H16O3 — CID 100524327

IUPAC(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)Oc1cccc2ccccc12
InChIInChI=1S/C19H16O3/c20-19(21)18(13-14-7-2-1-3-8-14)22-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2,(H,20,21)/t18-/m1/s1
InChIKeyJMGGQEORWGXTCD-GOSISDBHSA-N
MW292.33 g/mol
LogP3.91
Rot. Bonds5

About (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid

(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid (PubChem CID 100524327) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
PubChem CID100524327
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)Oc1cccc2ccccc12
InChIInChI=1S/C19H16O3/c20-19(21)18(13-14-7-2-1-3-8-14)22-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2,(H,20,21)/t18-/m1/s1
InChIKeyJMGGQEORWGXTCD-GOSISDBHSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yloxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245707
3-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 133241251
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
2-naphthalen-1-yloxy-3-(2-phenylsulfanylphenyl)propanoic acid
CID 133241337
(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100537884
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid (CID 100524327) is (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)Oc1cccc2ccccc12.
What is the InChIKey of (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid?
The InChIKey is JMGGQEORWGXTCD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16O3/c20-19(21)18(13-14-7-2-1-3-8-14)22-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid?
(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid has a molecular weight of 292.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid is sourced from PubChem (CID 100524327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).