2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate

C14H18O2 — CID 146167069

IUPAC2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate
SMILESCC(=O)OCC[C@]1(C)CCc2ccccc21
InChIInChI=1S/C14H18O2/c1-11(15)16-10-9-14(2)8-7-12-5-3-4-6-13(12)14/h3-6H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyZOMUOJFJXDDXQA-AWEZNQCLSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds3

About 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate

2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate (PubChem CID 146167069) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate
PubChem CID146167069
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate
SMILESCC(=O)OCC[C@]1(C)CCc2ccccc21
InChIInChI=1S/C14H18O2/c1-11(15)16-10-9-14(2)8-7-12-5-3-4-6-13(12)14/h3-6H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyZOMUOJFJXDDXQA-AWEZNQCLSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
tert-butyl 3-fluoro-2-methyl-4-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)but-2-enoate
CID 59440681
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
2-(1-hydroxyinden-1-yl)ethyl acetate
CID 175294687
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
(3-methyl-2H-1-benzothiophen-3-yl)methyl acetate
CID 101121699
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
3-(2-carbamothioyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanamide
CID 125495003
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
CID 70096888
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate?
The IUPAC name of 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate (CID 146167069) is 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate.
What is the SMILES notation for 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate?
The canonical SMILES for 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate is CC(=O)OCC[C@]1(C)CCc2ccccc21.
What is the InChIKey of 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate?
The InChIKey is ZOMUOJFJXDDXQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(15)16-10-9-14(2)8-7-12-5-3-4-6-13(12)14/h3-6H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate?
2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate has a molecular weight of 218.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate is sourced from PubChem (CID 146167069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).