[2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate

C23H24O2 — CID 20693124

IUPAC[2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate
SMILESCCCC1(C2=CCc3ccccc32)Cc2ccccc2C1OC(C)=O
InChIInChI=1S/C23H24O2/c1-3-14-23(21-13-12-17-8-4-6-10-19(17)21)15-18-9-5-7-11-20(18)22(23)25-16(2)24/h4-11,13,22H,3,12,14-15H2,1-2H3
InChIKeyJAUVRTPHVGIZFR-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.27
Rot. Bonds4

About [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate

[2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate (PubChem CID 20693124) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate.

Molecular Properties

Compound Name[2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate
PubChem CID20693124
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name[2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate
SMILESCCCC1(C2=CCc3ccccc32)Cc2ccccc2C1OC(C)=O
InChIInChI=1S/C23H24O2/c1-3-14-23(21-13-12-17-8-4-6-10-19(17)21)15-18-9-5-7-11-20(18)22(23)25-16(2)24/h4-11,13,22H,3,12,14-15H2,1-2H3
InChIKeyJAUVRTPHVGIZFR-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one
CID 20693123
2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
CID 44614047
3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene
CID 101422795
3-(2-methyl-1,3-dihydroinden-2-yl)-1H-indene
CID 20693144
2,2-dipropyl-1,3-dihydroinden-1-amine
CID 156711835
tert-butyl acetate;2-butyl-1-methyl-2-propyl-1,3-dihydroindene;2-methylpropane-2-thiol
CID 155703031
[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
CID 12616569
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
(1-ethyl-1-methyl-3-oxo-2H-inden-2-yl) acetate
CID 155801744
ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
CID 57227775
acetic acid;3H-inden-1-ylmethanol
CID 71363289
ethane;2-ethyl-1-methyl-2-propyl-1,3-dihydroindene;methane
CID 155690390

Frequently Asked Questions

What is the IUPAC name of [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate?
The IUPAC name of [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate (CID 20693124) is [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate.
What is the SMILES notation for [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate?
The canonical SMILES for [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate is CCCC1(C2=CCc3ccccc32)Cc2ccccc2C1OC(C)=O.
What is the InChIKey of [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate?
The InChIKey is JAUVRTPHVGIZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-3-14-23(21-13-12-17-8-4-6-10-19(17)21)15-18-9-5-7-11-20(18)22(23)25-16(2)24/h4-11,13,22H,3,12,14-15H2,1-2H3.
What are the key properties of [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate?
[2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate has a molecular weight of 332.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate is sourced from PubChem (CID 20693124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).