methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

C14H18O4 — CID 54467524

IUPACmethyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)C(O)C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C14H18O4/c1-17-12-6-5-9-7-11(4-3-10(9)8-12)13(15)14(16)18-2/h5-6,8,11,13,15H,3-4,7H2,1-2H3
InChIKeyXFZBNIVWDACDTK-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.33
Rot. Bonds3

About methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (PubChem CID 54467524) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
PubChem CID54467524
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCOC(=O)C(O)C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C14H18O4/c1-17-12-6-5-9-7-11(4-3-10(9)8-12)13(15)14(16)18-2/h5-6,8,11,13,15H,3-4,7H2,1-2H3
InChIKeyXFZBNIVWDACDTK-UHFFFAOYSA-N
XLogP1.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
CID 11629667
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 67422105

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (CID 54467524) is methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is COC(=O)C(O)C1CCc2cc(OC)ccc2C1.
What is the InChIKey of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is XFZBNIVWDACDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-12-6-5-9-7-11(4-3-10(9)8-12)13(15)14(16)18-2/h5-6,8,11,13,15H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 250.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 54467524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).