2-naphthalen-1-ylpentanoate

C15H15O2- — CID 154825316

IUPAC2-naphthalen-1-ylpentanoate
SMILESCCCC(C(=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C15H16O2/c1-2-6-14(15(16)17)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,14H,2,6H2,1H3,(H,16,17)/p-1
InChIKeyMFBXFEZHQOTXDS-UHFFFAOYSA-M
MW227.28 g/mol
LogP2.47
Rot. Bonds4

About 2-naphthalen-1-ylpentanoate

2-naphthalen-1-ylpentanoate (PubChem CID 154825316) has the molecular formula C15H15O2- and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-naphthalen-1-ylpentanoate.

Molecular Properties

Compound Name2-naphthalen-1-ylpentanoate
PubChem CID154825316
Molecular FormulaC15H15O2-
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name2-naphthalen-1-ylpentanoate
SMILESCCCC(C(=O)[O-])c1cccc2ccccc12
InChIInChI=1S/C15H16O2/c1-2-6-14(15(16)17)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,14H,2,6H2,1H3,(H,16,17)/p-1
InChIKeyMFBXFEZHQOTXDS-UHFFFAOYSA-M
XLogP2.47
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dinaphthalen-1-ylheptane-1,2,3-trione
CID 141348033
sodium (E)-2-naphthalen-1-ylhex-4-enoate
CID 23665576
2-naphthalen-1-ylhexanoyl chloride
CID 131880950
2-naphthalen-1-yldodecanoic acid
CID 23333439
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
1,2-dinaphthalen-1-yloctane-1,4,5-trione
CID 140640405
(2R,3R)-3-azaniumyl-2-hydroxy-3-naphthalen-1-ylpropanoate
CID 40787446
1,2-dinaphthalen-1-ylheptane-1,5,6-trione
CID 140640389
dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
CID 166440086
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride
CID 22888
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylpentanoate?
The IUPAC name of 2-naphthalen-1-ylpentanoate (CID 154825316) is 2-naphthalen-1-ylpentanoate.
What is the SMILES notation for 2-naphthalen-1-ylpentanoate?
The canonical SMILES for 2-naphthalen-1-ylpentanoate is CCCC(C(=O)[O-])c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylpentanoate?
The InChIKey is MFBXFEZHQOTXDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16O2/c1-2-6-14(15(16)17)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,14H,2,6H2,1H3,(H,16,17)/p-1.
What are the key properties of 2-naphthalen-1-ylpentanoate?
2-naphthalen-1-ylpentanoate has a molecular weight of 227.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylpentanoate is sourced from PubChem (CID 154825316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).