2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate

C24H32O6 — CID 158912693

IUPAC2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
SMILESCO.COC.COC(=O)C1CCc2ccccc21.O=C(O)C1CCc2ccccc21
InChIInChI=1S/C11H12O2.C10H10O2.C2H6O.CH4O/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10;11-10(12)9-6-5-7-3-1-2-4-8(7)9;1-3-2;1-2/h2-5,10H,6-7H2,1H3;1-4,9H,5-6H2,(H,11,12);1-2H3;2H,1H3
InChIKeyJGVRSMLZPVELFX-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.56
Rot. Bonds2

About 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate

2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 158912693) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
PubChem CID158912693
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
SMILESCO.COC.COC(=O)C1CCc2ccccc21.O=C(O)C1CCc2ccccc21
InChIInChI=1S/C11H12O2.C10H10O2.C2H6O.CH4O/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10;11-10(12)9-6-5-7-3-1-2-4-8(7)9;1-3-2;1-2/h2-5,10H,6-7H2,1H3;1-4,9H,5-6H2,(H,11,12);1-2H3;2H,1H3
InChIKeyJGVRSMLZPVELFX-UHFFFAOYSA-N
XLogP3.56
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate with MolForge

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Related Compounds

cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544
methyl 2-oxotricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene-9-carboxylate
CID 102398113
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 77428227

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate (CID 158912693) is 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate is CO.COC.COC(=O)C1CCc2ccccc21.O=C(O)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is JGVRSMLZPVELFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C10H10O2.C2H6O.CH4O/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10;11-10(12)9-6-5-7-3-1-2-4-8(7)9;1-3-2;1-2/h2-5,10H,6-7H2,1H3;1-4,9H,5-6H2,(H,11,12);1-2H3;2H,1H3.
What are the key properties of 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate?
2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 416.51 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 158912693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).