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

C23H18O2 — CID 101432831

IUPAC3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C23H18O2/c24-22(25)15-14-18-13-12-17-7-2-4-10-20(17)23(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13H,14-15H2,(H,24,25)
InChIKeyLYSUCTNUWGYAMU-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.68
Rot. Bonds4

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

3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid (PubChem CID 101432831) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid
PubChem CID101432831
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C23H18O2/c24-22(25)15-14-18-13-12-17-7-2-4-10-20(17)23(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13H,14-15H2,(H,24,25)
InChIKeyLYSUCTNUWGYAMU-UHFFFAOYSA-N
XLogP5.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
CID 101270309
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
3-[3-[2-(hydroxymethyl)phenyl]-2-methylphenyl]propanoic acid
CID 67664882
10-(1-hydroxynaphthalen-2-yl)decanoic acid
CID 151914986
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
butyl 3-[1-(2-diphenylphosphanylphenyl)naphthalen-2-yl]propanoate
CID 164668965
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
4-pyren-1-ylbutanoic acid
CID 158173508

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid (CID 101432831) is 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid is O=C(O)CCc1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid?
The InChIKey is LYSUCTNUWGYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-22(25)15-14-18-13-12-17-7-2-4-10-20(17)23(18)21-11-5-8-16-6-1-3-9-19(16)21/h1-13H,14-15H2,(H,24,25).
What are the key properties of 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid?
3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid has a molecular weight of 326.40 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 101432831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).