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

C12H14O3 — CID 23591011

IUPACethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1C(O)CC2
InChIInChI=1S/C12H14O3/c1-2-15-12(14)9-5-3-4-8-6-7-10(13)11(8)9/h3-5,10,13H,2,6-7H2,1H3
InChIKeyQVSHPLSOZYPKSS-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds2

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

ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 23591011) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID23591011
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOC(=O)c1cccc2c1C(O)CC2
InChIInChI=1S/C12H14O3/c1-2-15-12(14)9-5-3-4-8-6-7-10(13)11(8)9/h3-5,10,13H,2,6-7H2,1H3
InChIKeyQVSHPLSOZYPKSS-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-cyclobutylbenzoate
CID 106942755
1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
CID 57180230
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 9H-xanthene-1-carboxylate
CID 53405461
ethyl 3-ethyl-2-hydroxybenzoate
CID 101432634
ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
CID 3679782

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate (CID 23591011) is ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate is CCOC(=O)c1cccc2c1C(O)CC2.
What is the InChIKey of ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is QVSHPLSOZYPKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-15-12(14)9-5-3-4-8-6-7-10(13)11(8)9/h3-5,10,13H,2,6-7H2,1H3.
What are the key properties of ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate?
ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 23591011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).