methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate

C13H16O3 — CID 13379995

IUPACmethyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate
SMILESCOC(=O)CC1(O)CCc2ccccc2C1
InChIInChI=1S/C13H16O3/c1-16-12(14)9-13(15)7-6-10-4-2-3-5-11(10)8-13/h2-5,15H,6-9H2,1H3
InChIKeySOPGEMAUNBWRAT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.47
Rot. Bonds2

About methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate

methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate (PubChem CID 13379995) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate
PubChem CID13379995
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate
SMILESCOC(=O)CC1(O)CCc2ccccc2C1
InChIInChI=1S/C13H16O3/c1-16-12(14)9-13(15)7-6-10-4-2-3-5-11(10)8-13/h2-5,15H,6-9H2,1H3
InChIKeySOPGEMAUNBWRAT-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate?
The IUPAC name of methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate (CID 13379995) is methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate is COC(=O)CC1(O)CCc2ccccc2C1.
What is the InChIKey of methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate?
The InChIKey is SOPGEMAUNBWRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-12(14)9-13(15)7-6-10-4-2-3-5-11(10)8-13/h2-5,15H,6-9H2,1H3.
What are the key properties of methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate?
methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate has a molecular weight of 220.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)acetate is sourced from PubChem (CID 13379995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).