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

C15H20O2 — CID 70603938

IUPACmethyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(C(C)C)C2
InChIInChI=1S/C15H20O2/c1-10(2)13-8-12-5-4-11(6-14(12)9-13)7-15(16)17-3/h4-6,10,13H,7-9H2,1-3H3
InChIKeyVOYGWPVMNPRVPD-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.77
Rot. Bonds3

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

methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate (PubChem CID 70603938) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate
PubChem CID70603938
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(C(C)C)C2
InChIInChI=1S/C15H20O2/c1-10(2)13-8-12-5-4-11(6-14(12)9-13)7-15(16)17-3/h4-6,10,13H,7-9H2,1-3H3
InChIKeyVOYGWPVMNPRVPD-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
CID 88794450
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
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
methyl 2-(6-hydroxy-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate
CID 57142963
[2-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]-trimethylazanium
CID 67592648
methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969
methyl 2-[(4S)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetate
CID 131610471
methyl 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
CID 12902573

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate?
The IUPAC name of methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate (CID 70603938) is methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate?
The canonical SMILES for methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate is COC(=O)Cc1ccc2c(c1)CC(C(C)C)C2.
What is the InChIKey of methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate?
The InChIKey is VOYGWPVMNPRVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)13-8-12-5-4-11(6-14(12)9-13)7-15(16)17-3/h4-6,10,13H,7-9H2,1-3H3.
What are the key properties of methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate?
methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate has a molecular weight of 232.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate is sourced from PubChem (CID 70603938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).