4-naphthalen-1-ylbutanoic acid

C14H14O2 — CID 13077

IUPAC4-naphthalen-1-ylbutanoic acid
SMILESO=C(O)CCCc1cccc2ccccc12
InChIInChI=1S/C14H14O2/c15-14(16)10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2,(H,15,16)
InChIKeyLZVCOUNJXYIOQA-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.25
Rot. Bonds4

About 4-naphthalen-1-ylbutanoic acid

4-naphthalen-1-ylbutanoic acid (PubChem CID 13077) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-naphthalen-1-ylbutanoic acid.

Molecular Properties

Compound Name4-naphthalen-1-ylbutanoic acid
PubChem CID13077
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-naphthalen-1-ylbutanoic acid
SMILESO=C(O)CCCc1cccc2ccccc12
InChIInChI=1S/C14H14O2/c15-14(16)10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2,(H,15,16)
InChIKeyLZVCOUNJXYIOQA-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylbutanoic acid?
The IUPAC name of 4-naphthalen-1-ylbutanoic acid (CID 13077) is 4-naphthalen-1-ylbutanoic acid.
What is the SMILES notation for 4-naphthalen-1-ylbutanoic acid?
The canonical SMILES for 4-naphthalen-1-ylbutanoic acid is O=C(O)CCCc1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-ylbutanoic acid?
The InChIKey is LZVCOUNJXYIOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-14(16)10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2,(H,15,16).
What are the key properties of 4-naphthalen-1-ylbutanoic acid?
4-naphthalen-1-ylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylbutanoic acid is sourced from PubChem (CID 13077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).