2-(2-butoxynaphthalen-1-yl)acetate

C16H17O3- — CID 7037013

IUPAC2-(2-butoxynaphthalen-1-yl)acetate
SMILESCCCCOc1ccc2ccccc2c1CC(=O)[O-]
InChIInChI=1S/C16H18O3/c1-2-3-10-19-15-9-8-12-6-4-5-7-13(12)14(15)11-16(17)18/h4-9H,2-3,10-11H2,1H3,(H,17,18)/p-1
InChIKeyOUAGBTFTWYCYIC-UHFFFAOYSA-M
MW257.31 g/mol
LogP2.31
Rot. Bonds6

About 2-(2-butoxynaphthalen-1-yl)acetate

2-(2-butoxynaphthalen-1-yl)acetate (PubChem CID 7037013) has the molecular formula C16H17O3- and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2-butoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Name2-(2-butoxynaphthalen-1-yl)acetate
PubChem CID7037013
Molecular FormulaC16H17O3-
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(2-butoxynaphthalen-1-yl)acetate
SMILESCCCCOc1ccc2ccccc2c1CC(=O)[O-]
InChIInChI=1S/C16H18O3/c1-2-3-10-19-15-9-8-12-6-4-5-7-13(12)14(15)11-16(17)18/h4-9H,2-3,10-11H2,1H3,(H,17,18)/p-1
InChIKeyOUAGBTFTWYCYIC-UHFFFAOYSA-M
XLogP2.31
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.31
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

3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
2-[2-[(2-butoxynaphthalen-1-yl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9148006
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
1-ethyl-2-propoxynaphthalene
CID 129259410
2-bromo-1-(2-butoxynaphthalen-1-yl)ethanone
CID 126570485
2-amino-3-(2-hexoxynaphthalen-1-yl)propanoic acid
CID 54846808
2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22684476
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
1,4-dibutoxynaphthalene
CID 22016411
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxynaphthalen-1-yl)acetate?
The IUPAC name of 2-(2-butoxynaphthalen-1-yl)acetate (CID 7037013) is 2-(2-butoxynaphthalen-1-yl)acetate.
What is the SMILES notation for 2-(2-butoxynaphthalen-1-yl)acetate?
The canonical SMILES for 2-(2-butoxynaphthalen-1-yl)acetate is CCCCOc1ccc2ccccc2c1CC(=O)[O-].
What is the InChIKey of 2-(2-butoxynaphthalen-1-yl)acetate?
The InChIKey is OUAGBTFTWYCYIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18O3/c1-2-3-10-19-15-9-8-12-6-4-5-7-13(12)14(15)11-16(17)18/h4-9H,2-3,10-11H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-(2-butoxynaphthalen-1-yl)acetate?
2-(2-butoxynaphthalen-1-yl)acetate has a molecular weight of 257.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 7037013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).