methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

C13H16O3 — CID 54298591

IUPACmethyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)CC1CCc2cccc(O)c2C1
InChIInChI=1S/C13H16O3/c1-16-13(15)8-9-5-6-10-3-2-4-12(14)11(10)7-9/h2-4,9,14H,5-8H2,1H3
InChIKeySCNYRRSDPCHAKJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.06
Rot. Bonds2

About methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (PubChem CID 54298591) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
PubChem CID54298591
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)CC1CCc2cccc(O)c2C1
InChIInChI=1S/C13H16O3/c1-16-13(15)8-9-5-6-10-3-2-4-12(14)11(10)7-9/h2-4,9,14H,5-8H2,1H3
InChIKeySCNYRRSDPCHAKJ-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 58242220
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate
CID 135389934
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
methyl 2-(2-amino-7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125955
3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 102420215
dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
CID 134459821
methyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 10535152
(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15629517
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (CID 54298591) is methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is COC(=O)CC1CCc2cccc(O)c2C1.
What is the InChIKey of methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is SCNYRRSDPCHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-13(15)8-9-5-6-10-3-2-4-12(14)11(10)7-9/h2-4,9,14H,5-8H2,1H3.
What are the key properties of methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 220.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 54298591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).