[(1R)-1-naphthalen-2-ylpropyl] acetate

C15H16O2 — CID 58079221

IUPAC[(1R)-1-naphthalen-2-ylpropyl] acetate
SMILESCC[C@@H](OC(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-3-15(17-11(2)16)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,3H2,1-2H3/t15-/m1/s1
InChIKeyWJKWSVKXAHQTHA-OAHLLOKOSA-N
MW228.29 g/mol
LogP3.85
Rot. Bonds3

About [(1R)-1-naphthalen-2-ylpropyl] acetate

[(1R)-1-naphthalen-2-ylpropyl] acetate (PubChem CID 58079221) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is [(1R)-1-naphthalen-2-ylpropyl] acetate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-2-ylpropyl] acetate
PubChem CID58079221
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name[(1R)-1-naphthalen-2-ylpropyl] acetate
SMILESCC[C@@H](OC(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c1-3-15(17-11(2)16)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,3H2,1-2H3/t15-/m1/s1
InChIKeyWJKWSVKXAHQTHA-OAHLLOKOSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(1R)-1-acetyloxypropyl]phenyl] acetate
CID 42612647
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
[(1S)-2-bromo-1-naphthalen-2-ylethyl] propanoate
CID 177415384
[4-[acetyloxy(naphthalen-2-yl)methyl]phenyl] acetate
CID 25111120
2-naphthalen-2-ylbutanoic acid
CID 27266
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
CID 67366945
3-methoxy-3-naphthalen-2-ylpropan-1-ol
CID 101246159
2-ethoxy-2-naphthalen-2-ylethanamine
CID 53276132
1-naphthalen-2-ylethyl pentanoate
CID 46886522

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-2-ylpropyl] acetate?
The IUPAC name of [(1R)-1-naphthalen-2-ylpropyl] acetate (CID 58079221) is [(1R)-1-naphthalen-2-ylpropyl] acetate.
What is the SMILES notation for [(1R)-1-naphthalen-2-ylpropyl] acetate?
The canonical SMILES for [(1R)-1-naphthalen-2-ylpropyl] acetate is CC[C@@H](OC(C)=O)c1ccc2ccccc2c1.
What is the InChIKey of [(1R)-1-naphthalen-2-ylpropyl] acetate?
The InChIKey is WJKWSVKXAHQTHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-15(17-11(2)16)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,3H2,1-2H3/t15-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-2-ylpropyl] acetate?
[(1R)-1-naphthalen-2-ylpropyl] acetate has a molecular weight of 228.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-2-ylpropyl] acetate is sourced from PubChem (CID 58079221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).