2-naphthalen-1-yloxyethyl acetate

C14H14O3 — CID 23049663

IUPAC2-naphthalen-1-yloxyethyl acetate
SMILESCC(=O)OCCOc1cccc2ccccc12
InChIInChI=1S/C14H14O3/c1-11(15)16-9-10-17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3
InChIKeyIYOXDESGUYBOKI-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.78
Rot. Bonds4

About 2-naphthalen-1-yloxyethyl acetate

2-naphthalen-1-yloxyethyl acetate (PubChem CID 23049663) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-naphthalen-1-yloxyethyl acetate.

Molecular Properties

Compound Name2-naphthalen-1-yloxyethyl acetate
PubChem CID23049663
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-naphthalen-1-yloxyethyl acetate
SMILESCC(=O)OCCOc1cccc2ccccc12
InChIInChI=1S/C14H14O3/c1-11(15)16-9-10-17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3
InChIKeyIYOXDESGUYBOKI-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-naphthalen-1-yloxyethyl 3-oxopropanoate
CID 23049691
2-naphthalen-1-ylethyl acetate
CID 592920
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
2-[2-(2-iodoethenyl)phenoxy]ethyl acetate
CID 54286183
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100
[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 102063111

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxyethyl acetate?
The IUPAC name of 2-naphthalen-1-yloxyethyl acetate (CID 23049663) is 2-naphthalen-1-yloxyethyl acetate.
What is the SMILES notation for 2-naphthalen-1-yloxyethyl acetate?
The canonical SMILES for 2-naphthalen-1-yloxyethyl acetate is CC(=O)OCCOc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxyethyl acetate?
The InChIKey is IYOXDESGUYBOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-11(15)16-9-10-17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3.
What are the key properties of 2-naphthalen-1-yloxyethyl acetate?
2-naphthalen-1-yloxyethyl acetate has a molecular weight of 230.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxyethyl acetate is sourced from PubChem (CID 23049663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).