2-(5-phenylnaphthalen-1-yl)propanoic acid

C19H16O2 — CID 21450414

IUPAC2-(5-phenylnaphthalen-1-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H16O2/c1-13(19(20)21)15-9-5-12-18-16(10-6-11-17(15)18)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21)
InChIKeyBPFUGVAQMRYDCU-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.69
Rot. Bonds3

About 2-(5-phenylnaphthalen-1-yl)propanoic acid

2-(5-phenylnaphthalen-1-yl)propanoic acid (PubChem CID 21450414) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(5-phenylnaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-phenylnaphthalen-1-yl)propanoic acid
PubChem CID21450414
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name2-(5-phenylnaphthalen-1-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H16O2/c1-13(19(20)21)15-9-5-12-18-16(10-6-11-17(15)18)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21)
InChIKeyBPFUGVAQMRYDCU-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylnaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-(5-phenylnaphthalen-1-yl)propanoic acid (CID 21450414) is 2-(5-phenylnaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-phenylnaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-(5-phenylnaphthalen-1-yl)propanoic acid is CC(C(=O)O)c1cccc2c(-c3ccccc3)cccc12.
What is the InChIKey of 2-(5-phenylnaphthalen-1-yl)propanoic acid?
The InChIKey is BPFUGVAQMRYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13(19(20)21)15-9-5-12-18-16(10-6-11-17(15)18)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21).
What are the key properties of 2-(5-phenylnaphthalen-1-yl)propanoic acid?
2-(5-phenylnaphthalen-1-yl)propanoic acid has a molecular weight of 276.33 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylnaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 21450414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).