acetic acid;ethyl 1H-indene-1-carboxylate

C14H16O4 — CID 174482190

IUPACacetic acid;ethyl 1H-indene-1-carboxylate
SMILESCC(=O)O.CCOC(=O)C1C=Cc2ccccc21
InChIInChI=1S/C12H12O2.C2H4O2/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)11;1-2(3)4/h3-8,11H,2H2,1H3;1H3,(H,3,4)
InChIKeyBYZNYDABFDMNJR-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.45
Rot. Bonds2

About acetic acid;ethyl 1H-indene-1-carboxylate

acetic acid;ethyl 1H-indene-1-carboxylate (PubChem CID 174482190) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is acetic acid;ethyl 1H-indene-1-carboxylate.

Molecular Properties

Compound Nameacetic acid;ethyl 1H-indene-1-carboxylate
PubChem CID174482190
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nameacetic acid;ethyl 1H-indene-1-carboxylate
SMILESCC(=O)O.CCOC(=O)C1C=Cc2ccccc21
InChIInChI=1S/C12H12O2.C2H4O2/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)11;1-2(3)4/h3-8,11H,2H2,1H3;1H3,(H,3,4)
InChIKeyBYZNYDABFDMNJR-UHFFFAOYSA-N
XLogP2.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze acetic acid;ethyl 1H-indene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-2-(1H-indene-1-carbonyloxy)ethanesulfonic acid
CID 121311441
1,1-difluoro-2-(1H-indene-1-carbonyloxy)ethanesulfonate
CID 162462028
ethyl 4H-chromene-4-carboxylate
CID 91620312
2-(1H-inden-1-yl)hex-2-enoic acid
CID 150371655
1-O-ethyl 2-O-(oxiran-2-yl) benzene-1,2-dicarboxylate;1-prop-1-en-2-yl-1H-indene
CID 159438128
1-prop-1-en-2-yl-1H-indene
CID 12058678
2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 98521083
2,3,3-tris(1H-inden-1-yl)prop-2-enoic acid
CID 151679276
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
1H-indene-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158788540
acetic acid;ethyl acetate;methanol;toluene
CID 19857576
ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
CID 77467095

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl 1H-indene-1-carboxylate?
The IUPAC name of acetic acid;ethyl 1H-indene-1-carboxylate (CID 174482190) is acetic acid;ethyl 1H-indene-1-carboxylate.
What is the SMILES notation for acetic acid;ethyl 1H-indene-1-carboxylate?
The canonical SMILES for acetic acid;ethyl 1H-indene-1-carboxylate is CC(=O)O.CCOC(=O)C1C=Cc2ccccc21.
What is the InChIKey of acetic acid;ethyl 1H-indene-1-carboxylate?
The InChIKey is BYZNYDABFDMNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.C2H4O2/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)11;1-2(3)4/h3-8,11H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethyl 1H-indene-1-carboxylate?
acetic acid;ethyl 1H-indene-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl 1H-indene-1-carboxylate is sourced from PubChem (CID 174482190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).