[(1R)-1-naphthalen-1-ylethyl] acetate

C14H14O2 — CID 13082477

IUPAC[(1R)-1-naphthalen-1-ylethyl] acetate
SMILESCC(=O)O[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-10(16-11(2)15)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyIWIDGCURIBSFJX-SNVBAGLBSA-N
MW214.26 g/mol
LogP3.46
Rot. Bonds2

About [(1R)-1-naphthalen-1-ylethyl] acetate

[(1R)-1-naphthalen-1-ylethyl] acetate (PubChem CID 13082477) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(1R)-1-naphthalen-1-ylethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-1-ylethyl] acetate
PubChem CID13082477
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name[(1R)-1-naphthalen-1-ylethyl] acetate
SMILESCC(=O)O[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-10(16-11(2)15)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyIWIDGCURIBSFJX-SNVBAGLBSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-ylethyl carbamate
CID 14959373
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate
CID 140556231
[(1S)-1-(2-bromophenyl)ethyl] acetate
CID 130609094
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
1-O-methyl 5-O-[(1R)-1-naphthalen-1-ylethyl] (3S)-3-phenylpentanedioate
CID 100987751
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
[cyclohexyl(naphthalen-1-yl)methyl] acetate
CID 150589052
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 102063111

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-1-ylethyl] acetate?
The IUPAC name of [(1R)-1-naphthalen-1-ylethyl] acetate (CID 13082477) is [(1R)-1-naphthalen-1-ylethyl] acetate.
What is the SMILES notation for [(1R)-1-naphthalen-1-ylethyl] acetate?
The canonical SMILES for [(1R)-1-naphthalen-1-ylethyl] acetate is CC(=O)O[C@H](C)c1cccc2ccccc12.
What is the InChIKey of [(1R)-1-naphthalen-1-ylethyl] acetate?
The InChIKey is IWIDGCURIBSFJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14O2/c1-10(16-11(2)15)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-1-ylethyl] acetate?
[(1R)-1-naphthalen-1-ylethyl] acetate has a molecular weight of 214.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-1-ylethyl] acetate is sourced from PubChem (CID 13082477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).