2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid

C24H20O3 — CID 175561017

IUPAC2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid
SMILESCc1ccc2cccc(-c3c(OCC(=O)O)ccc4ccc(C)cc34)c2c1
InChIInChI=1S/C24H20O3/c1-15-6-8-17-4-3-5-19(20(17)12-15)24-21-13-16(2)7-9-18(21)10-11-22(24)27-14-23(25)26/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyHYZBZQKAVIVWRC-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.74
Rot. Bonds4

About 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid

2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid (PubChem CID 175561017) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid
PubChem CID175561017
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid
SMILESCc1ccc2cccc(-c3c(OCC(=O)O)ccc4ccc(C)cc34)c2c1
InChIInChI=1S/C24H20O3/c1-15-6-8-17-4-3-5-19(20(17)12-15)24-21-13-16(2)7-9-18(21)10-11-22(24)27-14-23(25)26/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyHYZBZQKAVIVWRC-UHFFFAOYSA-N
XLogP5.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid (CID 175561017) is 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid is Cc1ccc2cccc(-c3c(OCC(=O)O)ccc4ccc(C)cc34)c2c1.
What is the InChIKey of 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
The InChIKey is HYZBZQKAVIVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-15-6-8-17-4-3-5-19(20(17)12-15)24-21-13-16(2)7-9-18(21)10-11-22(24)27-14-23(25)26/h3-13H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid has a molecular weight of 356.42 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-1-(7-methylnaphthalen-1-yl)naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 175561017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).