methyl 4-naphthalen-2-ylbutanoate

C15H16O2 — CID 4053289

IUPACmethyl 4-naphthalen-2-ylbutanoate
SMILESCOC(=O)CCCc1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-17-15(16)8-4-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeyHHBCKGMAZYXROM-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.34
Rot. Bonds4

About methyl 4-naphthalen-2-ylbutanoate

methyl 4-naphthalen-2-ylbutanoate (PubChem CID 4053289) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 4-naphthalen-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-naphthalen-2-ylbutanoate
PubChem CID4053289
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namemethyl 4-naphthalen-2-ylbutanoate
SMILESCOC(=O)CCCc1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-17-15(16)8-4-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeyHHBCKGMAZYXROM-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-naphthalen-2-ylbutanoate?
The IUPAC name of methyl 4-naphthalen-2-ylbutanoate (CID 4053289) is methyl 4-naphthalen-2-ylbutanoate.
What is the SMILES notation for methyl 4-naphthalen-2-ylbutanoate?
The canonical SMILES for methyl 4-naphthalen-2-ylbutanoate is COC(=O)CCCc1ccc2ccccc2c1.
What is the InChIKey of methyl 4-naphthalen-2-ylbutanoate?
The InChIKey is HHBCKGMAZYXROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-17-15(16)8-4-5-12-9-10-13-6-2-3-7-14(13)11-12/h2-3,6-7,9-11H,4-5,8H2,1H3.
What are the key properties of methyl 4-naphthalen-2-ylbutanoate?
methyl 4-naphthalen-2-ylbutanoate has a molecular weight of 228.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-naphthalen-2-ylbutanoate is sourced from PubChem (CID 4053289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).