ethyl 2,3-dihydro-1H-indene-4-carboxylate

C12H14O2 — CID 10888742

IUPACethyl 2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1CCC2
InChIInChI=1S/C12H14O2/c1-2-14-12(13)11-8-4-6-9-5-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyNWUBOFMDMPMARL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.35
Rot. Bonds2

About ethyl 2,3-dihydro-1H-indene-4-carboxylate

ethyl 2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 10888742) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl 2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dihydro-1H-indene-4-carboxylate
PubChem CID10888742
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nameethyl 2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1CCC2
InChIInChI=1S/C12H14O2/c1-2-14-12(13)11-8-4-6-9-5-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyNWUBOFMDMPMARL-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 14994244
ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 170361396
ethyl 9H-xanthene-1-carboxylate
CID 53405461
ethyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 141207282
ethyl 3-methyl-2-pyrrolidin-1-ylbenzoate
CID 168513962
ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
CID 23591011
ethyl (1R,3S)-1,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylate
CID 59314388
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
ethyl 3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
CID 71747575
2,3-dihydro-1H-indene-4-carbothioamide
CID 151070386

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of ethyl 2,3-dihydro-1H-indene-4-carboxylate (CID 10888742) is ethyl 2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for ethyl 2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for ethyl 2,3-dihydro-1H-indene-4-carboxylate is CCOC(=O)c1cccc2c1CCC2.
What is the InChIKey of ethyl 2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is NWUBOFMDMPMARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-14-12(13)11-8-4-6-9-5-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of ethyl 2,3-dihydro-1H-indene-4-carboxylate?
ethyl 2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 190.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 10888742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).