methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate

C13H16O2 — CID 20765973

IUPACmethyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate
SMILESCOC(=O)CC1Cc2ccc(C)cc2C1
InChIInChI=1S/C13H16O2/c1-9-3-4-11-6-10(7-12(11)5-9)8-13(14)15-2/h3-5,10H,6-8H2,1-2H3
InChIKeyMDNFAIOAKKAOEA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.27
Rot. Bonds2

About methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate

methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate (PubChem CID 20765973) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate
PubChem CID20765973
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate
SMILESCOC(=O)CC1Cc2ccc(C)cc2C1
InChIInChI=1S/C13H16O2/c1-9-3-4-11-6-10(7-12(11)5-9)8-13(14)15-2/h3-5,10H,6-8H2,1-2H3
InChIKeyMDNFAIOAKKAOEA-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-7-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67096009
methyl 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoate
CID 129452531
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
methyl 2-(6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105474196
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
methyl 6-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54194488
2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 54226359
N,5-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 23397060
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
CID 88794450
methyl 2-(6-chloro-3,4-dihydro-2H-chromen-3-yl)acetate
CID 102198272
methyl 2-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]acetate
CID 58339756

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate (CID 20765973) is methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate is COC(=O)CC1Cc2ccc(C)cc2C1.
What is the InChIKey of methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate?
The InChIKey is MDNFAIOAKKAOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-3-4-11-6-10(7-12(11)5-9)8-13(14)15-2/h3-5,10H,6-8H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate?
methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate has a molecular weight of 204.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate is sourced from PubChem (CID 20765973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).