3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid

C24H20O2 — CID 169444867

IUPAC3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
SMILESO=C(O)C(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
InChIInChI=1S/C24H20O2/c25-24(26)22(15-17-12-13-18-6-1-2-8-20(18)14-17)16-21-10-5-9-19-7-3-4-11-23(19)21/h1-14,22H,15-16H2,(H,25,26)
InChIKeyGEBXJSJFKKULCH-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.48
Rot. Bonds5

About 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid

3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid (PubChem CID 169444867) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
PubChem CID169444867
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
SMILESO=C(O)C(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
InChIInChI=1S/C24H20O2/c25-24(26)22(15-17-12-13-18-6-1-2-8-20(18)14-17)16-21-10-5-9-19-7-3-4-11-23(19)21/h1-14,22H,15-16H2,(H,25,26)
InChIKeyGEBXJSJFKKULCH-UHFFFAOYSA-N
XLogP5.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
CID 14252647
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
2-(tert-butylsulfanylmethyl)-3-naphthalen-1-ylpropanoic acid
CID 23212908
(2R)-4-cyano-2-(naphthalen-1-ylmethyl)butanoic acid
CID 18611834
(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid
CID 147501226
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
2-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)propanoic acid
CID 60794085
propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
CID 24773275
(2S)-2-(azaniumylmethyl)-3-naphthalen-1-ylpropanoate
CID 29061426

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid?
The IUPAC name of 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid (CID 169444867) is 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid.
What is the SMILES notation for 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid?
The canonical SMILES for 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid is O=C(O)C(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid?
The InChIKey is GEBXJSJFKKULCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c25-24(26)22(15-17-12-13-18-6-1-2-8-20(18)14-17)16-21-10-5-9-19-7-3-4-11-23(19)21/h1-14,22H,15-16H2,(H,25,26).
What are the key properties of 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid?
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid has a molecular weight of 340.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid is sourced from PubChem (CID 169444867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).