5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate

C13H16O3 — CID 110493686

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16O3/c1-15-9-13(14)16-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3
InChIKeyPUKIYAYUVRPBAJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.12
Rot. Bonds3

About 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate

5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate (PubChem CID 110493686) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
PubChem CID110493686
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16O3/c1-15-9-13(14)16-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3
InChIKeyPUKIYAYUVRPBAJ-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
5,6,7,8-tetrahydronaphthalen-2-yl 2-(4-ethylphenoxy)acetate
CID 110493680
5,6,7,8-tetrahydronaphthalen-2-yl 2-(2,3-dimethylphenoxy)acetate
CID 110493676
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
5,6,7,8-tetrahydronaphthalen-2-yl 3-methylbenzoate
CID 110493634
2,3-dihydro-1H-inden-5-yl 2-(2-phenylphenoxy)acetate
CID 7921102
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
(4-methylphenyl) 2-methoxyacetate
CID 142940402
2,3-dihydro-1H-inden-5-yl 5-(ethylamino)-5-oxopentanoate
CID 71988360
(4-chlorophenyl) 2-methoxyacetate
CID 849221
5,6,7,8-tetrahydronaphthalen-2-yl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 110493689

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate (CID 110493686) is 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate is COCC(=O)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate?
The InChIKey is PUKIYAYUVRPBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-9-13(14)16-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate?
5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate has a molecular weight of 220.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate is sourced from PubChem (CID 110493686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).