methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate

C13H14O3 — CID 67783618

IUPACmethyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1C(C)=Cc2cc(O)ccc21
InChIInChI=1S/C13H14O3/c1-8-5-9-6-10(14)3-4-11(9)12(8)7-13(15)16-2/h3-6,12,14H,7H2,1-2H3
InChIKeyLEEGLGNTCVBQIT-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.46
Rot. Bonds2

About methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate

methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate (PubChem CID 67783618) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate
PubChem CID67783618
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate
SMILESCOC(=O)CC1C(C)=Cc2cc(O)ccc21
InChIInChI=1S/C13H14O3/c1-8-5-9-6-10(14)3-4-11(9)12(8)7-13(15)16-2/h3-6,12,14H,7H2,1-2H3
InChIKeyLEEGLGNTCVBQIT-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820
benzene-1,3-diol;methyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 158789867
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 122369713
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 2-(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 91016597
methyl 2-(9H-thioxanthen-9-yl)acetate
CID 102591196
methyl 5-hydroxy-2-[(3-methoxy-3-oxopropanoyl)amino]benzoate
CID 175373214
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 3-[(3S)-1,6-dihydroxy-3H-2,1-benzoxaborol-3-yl]propanoate
CID 124636435

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate?
The IUPAC name of methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate (CID 67783618) is methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate is COC(=O)CC1C(C)=Cc2cc(O)ccc21.
What is the InChIKey of methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate?
The InChIKey is LEEGLGNTCVBQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-5-9-6-10(14)3-4-11(9)12(8)7-13(15)16-2/h3-6,12,14H,7H2,1-2H3.
What are the key properties of methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate?
methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate has a molecular weight of 218.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate is sourced from PubChem (CID 67783618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).