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

C12H12O2 — CID 101441379

IUPAC(3-methyl-1H-inden-2-yl) acetate
SMILESCC(=O)OC1=C(C)c2ccccc2C1
InChIInChI=1S/C12H12O2/c1-8-11-6-4-3-5-10(11)7-12(8)14-9(2)13/h3-6H,7H2,1-2H3
InChIKeyHETMPQYPGZGQCW-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.54
Rot. Bonds1

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

(3-methyl-1H-inden-2-yl) acetate (PubChem CID 101441379) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3-methyl-1H-inden-2-yl) acetate.

Molecular Properties

Compound Name(3-methyl-1H-inden-2-yl) acetate
PubChem CID101441379
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(3-methyl-1H-inden-2-yl) acetate
SMILESCC(=O)OC1=C(C)c2ccccc2C1
InChIInChI=1S/C12H12O2/c1-8-11-6-4-3-5-10(11)7-12(8)14-9(2)13/h3-6H,7H2,1-2H3
InChIKeyHETMPQYPGZGQCW-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143080534
acetic acid;azane;9H-fluorene
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(9-oxo-2-phenyl-3H-pyridazino[6,1-a]isoindol-4-yl) acetate
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lithium;2,3-dimethyl-1H-indene;hydride
CID 174422478
4-methyl-3-(2-methylphenyl)-1H-naphthalen-2-one
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(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-2-yl) acetate
CID 10754296
(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate
CID 134120096
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl] acetate
CID 138966446
(6-hydroxy-2-methyl-3H-inden-1-yl) acetate
CID 70629593
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-inden-2-yl) acetate?
The IUPAC name of (3-methyl-1H-inden-2-yl) acetate (CID 101441379) is (3-methyl-1H-inden-2-yl) acetate.
What is the SMILES notation for (3-methyl-1H-inden-2-yl) acetate?
The canonical SMILES for (3-methyl-1H-inden-2-yl) acetate is CC(=O)OC1=C(C)c2ccccc2C1.
What is the InChIKey of (3-methyl-1H-inden-2-yl) acetate?
The InChIKey is HETMPQYPGZGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-11-6-4-3-5-10(11)7-12(8)14-9(2)13/h3-6H,7H2,1-2H3.
What are the key properties of (3-methyl-1H-inden-2-yl) acetate?
(3-methyl-1H-inden-2-yl) acetate has a molecular weight of 188.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-inden-2-yl) acetate is sourced from PubChem (CID 101441379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).