2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid

C25H20O3 — CID 177379160

IUPAC2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
SMILESCC(Oc1ccc(-c2cccc3ccccc23)cc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C25H20O3/c1-25(24(26)27,20-10-3-2-4-11-20)28-21-16-14-19(15-17-21)23-13-7-9-18-8-5-6-12-22(18)23/h2-17H,1H3,(H,26,27)
InChIKeyRACIWMNCWUXKGH-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.89
Rot. Bonds5

About 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid

2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid (PubChem CID 177379160) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
PubChem CID177379160
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
SMILESCC(Oc1ccc(-c2cccc3ccccc23)cc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C25H20O3/c1-25(24(26)27,20-10-3-2-4-11-20)28-21-16-14-19(15-17-21)23-13-7-9-18-8-5-6-12-22(18)23/h2-17H,1H3,(H,26,27)
InChIKeyRACIWMNCWUXKGH-UHFFFAOYSA-N
XLogP5.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-ylbenzoic acid
CID 2760151
2-methyl-2-[4-[2-[5-methyl-2-(3-naphthalen-1-ylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid
CID 12966837
(4-naphthalen-1-ylphenyl) nitrite
CID 87503734
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4,6-diphenylpyridine
CID 121315369
2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol
CID 176584593
4-tert-butyl-2-naphthalen-1-ylbenzoic acid
CID 22306797
2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 176584477
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid?
The IUPAC name of 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid (CID 177379160) is 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid?
The canonical SMILES for 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid is CC(Oc1ccc(-c2cccc3ccccc23)cc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid?
The InChIKey is RACIWMNCWUXKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c1-25(24(26)27,20-10-3-2-4-11-20)28-21-16-14-19(15-17-21)23-13-7-9-18-8-5-6-12-22(18)23/h2-17H,1H3,(H,26,27).
What are the key properties of 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid?
2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid has a molecular weight of 368.43 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid is sourced from PubChem (CID 177379160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).