2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid

C34H26O3 — CID 175561008

IUPAC2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1-c1cccc2c1=CC(c1ccccc1)(c1ccccc1)CC=2
InChIInChI=1S/C34H26O3/c35-32(36)23-37-31-19-18-24-10-7-8-16-28(24)33(31)29-17-9-11-25-20-21-34(22-30(25)29,26-12-3-1-4-13-26)27-14-5-2-6-15-27/h1-20,22H,21,23H2,(H,35,36)
InChIKeyODYYNDUKYYPVNR-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.92
Rot. Bonds6

About 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid

2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid (PubChem CID 175561008) has the molecular formula C34H26O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid
PubChem CID175561008
Molecular FormulaC34H26O3
Molecular Weight482.58 g/mol
Exact Mass482.19
IUPAC Name2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1-c1cccc2c1=CC(c1ccccc1)(c1ccccc1)CC=2
InChIInChI=1S/C34H26O3/c35-32(36)23-37-31-19-18-24-10-7-8-16-28(24)33(31)29-17-9-11-25-20-21-34(22-30(25)29,26-12-3-1-4-13-26)27-14-5-2-6-15-27/h1-20,22H,21,23H2,(H,35,36)
InChIKeyODYYNDUKYYPVNR-UHFFFAOYSA-N
XLogP5.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid (CID 175561008) is 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid is O=C(O)COc1ccc2ccccc2c1-c1cccc2c1=CC(c1ccccc1)(c1ccccc1)CC=2.
What is the InChIKey of 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
The InChIKey is ODYYNDUKYYPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O3/c35-32(36)23-37-31-19-18-24-10-7-8-16-28(24)33(31)29-17-9-11-25-20-21-34(22-30(25)29,26-12-3-1-4-13-26)27-14-5-2-6-15-27/h1-20,22H,21,23H2,(H,35,36).
What are the key properties of 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid?
2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid has a molecular weight of 482.58 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7,7-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 175561008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).