3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid

C23H22O4 — CID 67781652

IUPAC3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid
SMILESCCOc1cc(-c2ccccc2)ccc1CC(Oc1ccccc1)C(=O)O
InChIInChI=1S/C23H22O4/c1-2-26-21-15-18(17-9-5-3-6-10-17)13-14-19(21)16-22(23(24)25)27-20-11-7-4-8-12-20/h3-15,22H,2,16H2,1H3,(H,24,25)
InChIKeyJRPPDTGUBGEAAN-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.83
Rot. Bonds8

About 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid

3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid (PubChem CID 67781652) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid
PubChem CID67781652
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid
SMILESCCOc1cc(-c2ccccc2)ccc1CC(Oc1ccccc1)C(=O)O
InChIInChI=1S/C23H22O4/c1-2-26-21-15-18(17-9-5-3-6-10-17)13-14-19(21)16-22(23(24)25)27-20-11-7-4-8-12-20/h3-15,22H,2,16H2,1H3,(H,24,25)
InChIKeyJRPPDTGUBGEAAN-UHFFFAOYSA-N
XLogP4.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100524579
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100550207
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245475
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2S)-3-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100527919
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid?
The IUPAC name of 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid (CID 67781652) is 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid?
The canonical SMILES for 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid is CCOc1cc(-c2ccccc2)ccc1CC(Oc1ccccc1)C(=O)O.
What is the InChIKey of 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid?
The InChIKey is JRPPDTGUBGEAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-2-26-21-15-18(17-9-5-3-6-10-17)13-14-19(21)16-22(23(24)25)27-20-11-7-4-8-12-20/h3-15,22H,2,16H2,1H3,(H,24,25).
What are the key properties of 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid?
3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid has a molecular weight of 362.43 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-phenylphenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 67781652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).