methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

C14H18O3 — CID 15237997

IUPACmethyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)CC1CCc2c(cccc2OC)C1
InChIInChI=1S/C14H18O3/c1-16-13-5-3-4-11-8-10(6-7-12(11)13)9-14(15)17-2/h3-5,10H,6-9H2,1-2H3
InChIKeyKAYVXZDLKVAJBC-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.36
Rot. Bonds3

About methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (PubChem CID 15237997) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
PubChem CID15237997
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)CC1CCc2c(cccc2OC)C1
InChIInChI=1S/C14H18O3/c1-16-13-5-3-4-11-8-10(6-7-12(11)13)9-14(15)17-2/h3-5,10H,6-9H2,1-2H3
InChIKeyKAYVXZDLKVAJBC-UHFFFAOYSA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54298591
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
[6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl] 2-hydroxyacetate
CID 67758783
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate
CID 10108378
1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105474792
(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 123510289
3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 102420215

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (CID 15237997) is methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is COC(=O)CC1CCc2c(cccc2OC)C1.
What is the InChIKey of methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is KAYVXZDLKVAJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-5-3-4-11-8-10(6-7-12(11)13)9-14(15)17-2/h3-5,10H,6-9H2,1-2H3.
What are the key properties of methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 234.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 15237997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).