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

C13H14O3 — CID 88794450

IUPACmethyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(C=O)C2
InChIInChI=1S/C13H14O3/c1-16-13(15)7-9-2-3-11-5-10(8-14)6-12(11)4-9/h2-4,8,10H,5-7H2,1H3
InChIKeyDZPVMANNPHQLIN-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.32
Rot. Bonds3

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

methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate (PubChem CID 88794450) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
PubChem CID88794450
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(C=O)C2
InChIInChI=1S/C13H14O3/c1-16-13(15)7-9-2-3-11-5-10(8-14)6-12(11)4-9/h2-4,8,10H,5-7H2,1H3
InChIKeyDZPVMANNPHQLIN-UHFFFAOYSA-N
XLogP1.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate
CID 70603938
5-ethyl-2,3-dihydro-1H-indene-2-carbaldehyde
CID 86227264
methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 54070173
methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate
CID 71166941
acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 142945145
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
CID 12902573
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
CID 89359117
CID 89359117
methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate
CID 20765973
methyl 2-(3-chloro-4-formylphenyl)acetate
CID 59520437

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate?
The IUPAC name of methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate (CID 88794450) is methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate?
The canonical SMILES for methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate is COC(=O)Cc1ccc2c(c1)CC(C=O)C2.
What is the InChIKey of methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate?
The InChIKey is DZPVMANNPHQLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-16-13(15)7-9-2-3-11-5-10(8-14)6-12(11)4-9/h2-4,8,10H,5-7H2,1H3.
What are the key properties of methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate?
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate has a molecular weight of 218.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate is sourced from PubChem (CID 88794450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).