ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

C15H20O4 — CID 113325923

IUPACethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)C(O)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C15H20O4/c1-3-19-15(17)14(16)11-5-4-10-6-7-13(18-2)9-12(10)8-11/h6-7,9,11,14,16H,3-5,8H2,1-2H3
InChIKeyCMVHXLGUEXYAIB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (PubChem CID 113325923) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
PubChem CID113325923
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)C(O)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C15H20O4/c1-3-19-15(17)14(16)11-5-4-10-6-7-13(18-2)9-12(10)8-11/h6-7,9,11,14,16H,3-5,8H2,1-2H3
InChIKeyCMVHXLGUEXYAIB-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
CID 167218753
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanoate
CID 115511255
ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
CID 115510557
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 91075803
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 67422105
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylazanium chloride
CID 11299819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (CID 113325923) is ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is CCOC(=O)C(O)C1CCc2ccc(OC)cc2C1.
What is the InChIKey of ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is CMVHXLGUEXYAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-19-15(17)14(16)11-5-4-10-6-7-13(18-2)9-12(10)8-11/h6-7,9,11,14,16H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 264.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 113325923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).