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

C12H12O3 — CID 70629593

IUPAC(6-hydroxy-2-methyl-3H-inden-1-yl) acetate
SMILESCC(=O)OC1=C(C)Cc2ccc(O)cc21
InChIInChI=1S/C12H12O3/c1-7-5-9-3-4-10(14)6-11(9)12(7)15-8(2)13/h3-4,6,14H,5H2,1-2H3
InChIKeyCRLZQVBYXPCLOP-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.24
Rot. Bonds1

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

(6-hydroxy-2-methyl-3H-inden-1-yl) acetate (PubChem CID 70629593) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (6-hydroxy-2-methyl-3H-inden-1-yl) acetate.

Molecular Properties

Compound Name(6-hydroxy-2-methyl-3H-inden-1-yl) acetate
PubChem CID70629593
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(6-hydroxy-2-methyl-3H-inden-1-yl) acetate
SMILESCC(=O)OC1=C(C)Cc2ccc(O)cc21
InChIInChI=1S/C12H12O3/c1-7-5-9-3-4-10(14)6-11(9)12(7)15-8(2)13/h3-4,6,14H,5H2,1-2H3
InChIKeyCRLZQVBYXPCLOP-UHFFFAOYSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-methyl-3H-inden-1-yl) acetate?
The IUPAC name of (6-hydroxy-2-methyl-3H-inden-1-yl) acetate (CID 70629593) is (6-hydroxy-2-methyl-3H-inden-1-yl) acetate.
What is the SMILES notation for (6-hydroxy-2-methyl-3H-inden-1-yl) acetate?
The canonical SMILES for (6-hydroxy-2-methyl-3H-inden-1-yl) acetate is CC(=O)OC1=C(C)Cc2ccc(O)cc21.
What is the InChIKey of (6-hydroxy-2-methyl-3H-inden-1-yl) acetate?
The InChIKey is CRLZQVBYXPCLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-5-9-3-4-10(14)6-11(9)12(7)15-8(2)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of (6-hydroxy-2-methyl-3H-inden-1-yl) acetate?
(6-hydroxy-2-methyl-3H-inden-1-yl) acetate has a molecular weight of 204.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-methyl-3H-inden-1-yl) acetate is sourced from PubChem (CID 70629593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).