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

C14H18O2 — CID 58565948

IUPACethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(C)ccc21
InChIInChI=1S/C14H18O2/c1-3-16-14(15)9-12-6-5-11-8-10(2)4-7-13(11)12/h4,7-8,12H,3,5-6,9H2,1-2H3
InChIKeyXTALAEDBPJWQKT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.98
Rot. Bonds3

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

ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 58565948) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID58565948
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(C)ccc21
InChIInChI=1S/C14H18O2/c1-3-16-14(15)9-12-6-5-11-8-10(2)4-7-13(11)12/h4,7-8,12H,3,5-6,9H2,1-2H3
InChIKeyXTALAEDBPJWQKT-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
CID 146232024
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
ethyl 2-(6-methyl-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 123645338
2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105435841
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
ethyl 2-[5-[(3-phenoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 58755283
ethyl 2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 143248362
ethyl 2-[(1S)-5-[2-(6-chloro-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 59300493
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
ethyl 3-(6-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 118477285
ethyl 2-[(1S)-5-[3-(4-bromo-2-methoxyphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 59300414
5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane
CID 155718336

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate (CID 58565948) is ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate is CCOC(=O)CC1CCc2cc(C)ccc21.
What is the InChIKey of ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is XTALAEDBPJWQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-16-14(15)9-12-6-5-11-8-10(2)4-7-13(11)12/h4,7-8,12H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate?
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 218.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 58565948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).