2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid

C50H34O6 — CID 142535552

IUPAC2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cc(-c3cccc4ccccc34)ccc2c1-c1c(OCC(=O)O)c(-c2ccccc2-c2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C50H34O6/c51-46(52)29-55-45-26-24-35-27-34(38-21-9-14-31-11-1-4-16-36(31)38)23-25-40(35)48(45)49-39-18-6-3-13-33(39)28-44(50(49)56-30-47(53)54)43-20-8-7-19-42(43)41-22-10-15-32-12-2-5-17-37(32)41/h1-28H,29-30H2,(H,51,52)(H,53,54)
InChIKeyONYAXERDVJSMER-UHFFFAOYSA-N
MW730.82 g/mol
LogP11.89
Rot. Bonds10

About 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid

2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid (PubChem CID 142535552) has the molecular formula C50H34O6 and a molecular weight of 730.82 g/mol. Its IUPAC name is 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid
PubChem CID142535552
Molecular FormulaC50H34O6
Molecular Weight730.82 g/mol
Exact Mass730.24
IUPAC Name2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cc(-c3cccc4ccccc34)ccc2c1-c1c(OCC(=O)O)c(-c2ccccc2-c2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C50H34O6/c51-46(52)29-55-45-26-24-35-27-34(38-21-9-14-31-11-1-4-16-36(31)38)23-25-40(35)48(45)49-39-18-6-3-13-33(39)28-44(50(49)56-30-47(53)54)43-20-8-7-19-42(43)41-22-10-15-32-12-2-5-17-37(32)41/h1-28H,29-30H2,(H,51,52)(H,53,54)
InChIKeyONYAXERDVJSMER-UHFFFAOYSA-N
XLogP11.89
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.82
LogP ≤ 511.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-naphthalen-2-ylphenoxy)acetic acid
CID 139923485
2-[1-[2-(carboxymethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetic acid
CID 176819783
2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate
CID 158566083
2-[5-[10-(carboxymethoxy)phenanthren-4-yl]phenanthren-9-yl]oxyacetic acid
CID 176819824
2-[[10,13,20,23,30-pentakis(carboxymethoxy)-3-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7(35),8,10,12,14,16(34),17(33),18,20,22,24,26(32),27(31),28-octadecaenyl]oxy]acetic acid
CID 122375975
2-[3-[2-(carboxymethoxy)phenanthren-3-yl]phenanthren-2-yl]oxyacetic acid
CID 176819800
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
CID 143896786
2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid
CID 175561017
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid (CID 142535552) is 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid is O=C(O)COc1ccc2cc(-c3cccc4ccccc34)ccc2c1-c1c(OCC(=O)O)c(-c2ccccc2-c2cccc3ccccc23)cc2ccccc12.
What is the InChIKey of 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid?
The InChIKey is ONYAXERDVJSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34O6/c51-46(52)29-55-45-26-24-35-27-34(38-21-9-14-31-11-1-4-16-36(31)38)23-25-40(35)48(45)49-39-18-6-3-13-33(39)28-44(50(49)56-30-47(53)54)43-20-8-7-19-42(43)41-22-10-15-32-12-2-5-17-37(32)41/h1-28H,29-30H2,(H,51,52)(H,53,54).
What are the key properties of 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid?
2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid has a molecular weight of 730.82 g/mol, XLogP of 11.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 142535552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).