(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid

C21H20O4 — CID 100543843

IUPAC(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
SMILESCCOc1ccccc1C[C@H](Oc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C21H20O4/c1-2-24-18-12-6-4-9-16(18)14-20(21(22)23)25-19-13-7-10-15-8-3-5-11-17(15)19/h3-13,20H,2,14H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyGTGZTPMTPVHCLQ-FQEVSTJZSA-N
MW336.39 g/mol
LogP4.31
Rot. Bonds7

About (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid

(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid (PubChem CID 100543843) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
PubChem CID100543843
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
SMILESCCOc1ccccc1C[C@H](Oc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C21H20O4/c1-2-24-18-12-6-4-9-16(18)14-20(21(22)23)25-19-13-7-10-15-8-3-5-11-17(15)19/h3-13,20H,2,14H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyGTGZTPMTPVHCLQ-FQEVSTJZSA-N
XLogP4.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
CID 100524327
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100543995
2-naphthalen-1-yloxy-3-(2-phenylsulfanylphenyl)propanoic acid
CID 133241337
(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100537884
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
(2S)-N-(2-ethoxyphenyl)-2-naphthalen-1-yloxy-2-phenylacetamide
CID 7506073
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid?
The IUPAC name of (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid (CID 100543843) is (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid.
What is the SMILES notation for (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid?
The canonical SMILES for (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid is CCOc1ccccc1C[C@H](Oc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid?
The InChIKey is GTGZTPMTPVHCLQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20O4/c1-2-24-18-12-6-4-9-16(18)14-20(21(22)23)25-19-13-7-10-15-8-3-5-11-17(15)19/h3-13,20H,2,14H2,1H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid?
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid has a molecular weight of 336.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid is sourced from PubChem (CID 100543843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).