naphthalen-1-ol;propanoic acid

C13H14O3 — CID 19792721

IUPACnaphthalen-1-ol;propanoic acid
SMILESCCC(=O)O.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C3H6O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-3(4)5/h1-7,11H;2H2,1H3,(H,4,5)
InChIKeyDZHYBSISTCXMBN-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.03
Rot. Bonds1

About naphthalen-1-ol;propanoic acid

naphthalen-1-ol;propanoic acid (PubChem CID 19792721) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is naphthalen-1-ol;propanoic acid.

Molecular Properties

Compound Namenaphthalen-1-ol;propanoic acid
PubChem CID19792721
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namenaphthalen-1-ol;propanoic acid
SMILESCCC(=O)O.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C3H6O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-3(4)5/h1-7,11H;2H2,1H3,(H,4,5)
InChIKeyDZHYBSISTCXMBN-UHFFFAOYSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ol;propanoic acid?
The IUPAC name of naphthalen-1-ol;propanoic acid (CID 19792721) is naphthalen-1-ol;propanoic acid.
What is the SMILES notation for naphthalen-1-ol;propanoic acid?
The canonical SMILES for naphthalen-1-ol;propanoic acid is CCC(=O)O.Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ol;propanoic acid?
The InChIKey is DZHYBSISTCXMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C3H6O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-3(4)5/h1-7,11H;2H2,1H3,(H,4,5).
What are the key properties of naphthalen-1-ol;propanoic acid?
naphthalen-1-ol;propanoic acid has a molecular weight of 218.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ol;propanoic acid is sourced from PubChem (CID 19792721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).