methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate

C13H16O4 — CID 79367554

IUPACmethyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)C(O)C1CCc2ccc(OC)cc21
InChIInChI=1S/C13H16O4/c1-16-9-5-3-8-4-6-10(11(8)7-9)12(14)13(15)17-2/h3,5,7,10,12,14H,4,6H2,1-2H3
InChIKeyCJEAEMMKLFNZAW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.26
Rot. Bonds3

About methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate

methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 79367554) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID79367554
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namemethyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCOC(=O)C(O)C1CCc2ccc(OC)cc21
InChIInChI=1S/C13H16O4/c1-16-9-5-3-8-4-6-10(11(8)7-9)12(14)13(15)17-2/h3,5,7,10,12,14H,4,6H2,1-2H3
InChIKeyCJEAEMMKLFNZAW-UHFFFAOYSA-N
XLogP1.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 79368208
methyl (2S)-2-[(1S)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 59590884
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 68632713
(2R,3S)-3-hydroxy-1-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one
CID 102574394
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 79368390
methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 10062053
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (CID 79367554) is methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate is COC(=O)C(O)C1CCc2ccc(OC)cc21.
What is the InChIKey of methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is CJEAEMMKLFNZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-9-5-3-8-4-6-10(11(8)7-9)12(14)13(15)17-2/h3,5,7,10,12,14H,4,6H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate?
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 236.27 g/mol, XLogP of 1.26, 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-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 79367554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).