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

C14H18O2 — CID 164900857

IUPACethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O2/c1-3-16-14(15)10(2)12-8-7-11-5-4-6-13(11)9-12/h7-10H,3-6H2,1-2H3
InChIKeyFRUIBRVUQCEFTC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds3

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

ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate (PubChem CID 164900857) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
PubChem CID164900857
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O2/c1-3-16-14(15)10(2)12-8-7-11-5-4-6-13(11)9-12/h7-10H,3-6H2,1-2H3
InChIKeyFRUIBRVUQCEFTC-UHFFFAOYSA-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

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Related Compounds

ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
CID 116914231
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
CID 54917644
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
CID 116945049
ethyl 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanoate
CID 63034861
1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
CID 114194360
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate (CID 164900857) is ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate is CCOC(=O)C(C)c1ccc2c(c1)CCC2.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate?
The InChIKey is FRUIBRVUQCEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-16-14(15)10(2)12-8-7-11-5-4-6-13(11)9-12/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate?
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate 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 ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate is sourced from PubChem (CID 164900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).