2-naphthalen-1-ylethyl acetate

C14H14O2 — CID 592920

IUPAC2-naphthalen-1-ylethyl acetate
SMILESCC(=O)OCCc1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3
InChIKeyITZBHXFTXRVMIA-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.95
Rot. Bonds3

About 2-naphthalen-1-ylethyl acetate

2-naphthalen-1-ylethyl acetate (PubChem CID 592920) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-naphthalen-1-ylethyl acetate.

Molecular Properties

Compound Name2-naphthalen-1-ylethyl acetate
PubChem CID592920
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-naphthalen-1-ylethyl acetate
SMILESCC(=O)OCCc1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3
InChIKeyITZBHXFTXRVMIA-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
3-naphthalen-1-ylpropyl carbamate
CID 175301350
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate
CID 58021629
2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
2-naphthalen-1-ylethyl 4-cyanobenzoate
CID 10518392
2-(3-amino-2-ethylphenyl)ethyl acetate
CID 174410816
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-phenylethyl acetate
CID 7654

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethyl acetate?
The IUPAC name of 2-naphthalen-1-ylethyl acetate (CID 592920) is 2-naphthalen-1-ylethyl acetate.
What is the SMILES notation for 2-naphthalen-1-ylethyl acetate?
The canonical SMILES for 2-naphthalen-1-ylethyl acetate is CC(=O)OCCc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylethyl acetate?
The InChIKey is ITZBHXFTXRVMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3.
What are the key properties of 2-naphthalen-1-ylethyl acetate?
2-naphthalen-1-ylethyl acetate has a molecular weight of 214.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethyl acetate is sourced from PubChem (CID 592920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).