methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate

C15H20O5 — CID 117449915

IUPACmethyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)c2c(c1OC)CCCC2
InChIInChI=1S/C15H20O5/c1-18-12-8-11(13(16)15(17)20-3)14(19-2)10-7-5-4-6-9(10)12/h8,13,16H,4-7H2,1-3H3
InChIKeyGUTFJKAXANKPAP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.79
Rot. Bonds4

About methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate

methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate (PubChem CID 117449915) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
PubChem CID117449915
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)c2c(c1OC)CCCC2
InChIInChI=1S/C15H20O5/c1-18-12-8-11(13(16)15(17)20-3)14(19-2)10-7-5-4-6-9(10)12/h8,13,16H,4-7H2,1-3H3
InChIKeyGUTFJKAXANKPAP-UHFFFAOYSA-N
XLogP1.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117415319
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
ethyl 2-hydroxy-2-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 117449891
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
CID 117381815
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117417057
methyl 2-hydroxy-2-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)acetate
CID 117378924
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543
2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117316674
methyl 2-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117429650
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate (CID 117449915) is methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate is COC(=O)C(O)c1cc(OC)c2c(c1OC)CCCC2.
What is the InChIKey of methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
The InChIKey is GUTFJKAXANKPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-12-8-11(13(16)15(17)20-3)14(19-2)10-7-5-4-6-9(10)12/h8,13,16H,4-7H2,1-3H3.
What are the key properties of methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate?
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate has a molecular weight of 280.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 117449915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).