(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate

C13H16O3 — CID 91083386

IUPAC(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate
SMILESCCC(=O)OC1CCc2c1ccc(O)c2C
InChIInChI=1S/C13H16O3/c1-3-13(15)16-12-7-5-9-8(2)11(14)6-4-10(9)12/h4,6,12,14H,3,5,7H2,1-2H3
InChIKeySXJQETVXQAEWNV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.64
Rot. Bonds2

About (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate

(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate (PubChem CID 91083386) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate.

Molecular Properties

Compound Name(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate
PubChem CID91083386
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate
SMILESCCC(=O)OC1CCc2c1ccc(O)c2C
InChIInChI=1S/C13H16O3/c1-3-13(15)16-12-7-5-9-8(2)11(14)6-4-10(9)12/h4,6,12,14H,3,5,7H2,1-2H3
InChIKeySXJQETVXQAEWNV-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 91016597
[6-[6-[5,8-di(propanoyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl]anthracen-2-yl]-4-propanoyloxy-1,2,3,4-tetrahydronaphthalen-1-yl] propanoate
CID 88544765
1-acetyloxy-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 174501527
(5-formyl-4-methyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 174515745
1,2,3,4-tetrahydroquinolin-4-yl propanoate
CID 70393820
1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 92978915
(3-hydroxy-2-methylphenyl)methyl propanoate
CID 175764363
[(1S)-5-(dimethylcarbamoylsulfanyl)-2,3-dihydro-1H-inden-1-yl] butanoate
CID 91239143
[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 97212535
methyl 2-[(1R)-5-(methanethioylamino)-4-methyl-2,3-dihydro-1H-inden-1-yl]acetate
CID 141116473
ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
CID 90118005

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?
The IUPAC name of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate (CID 91083386) is (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate.
What is the SMILES notation for (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?
The canonical SMILES for (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate is CCC(=O)OC1CCc2c1ccc(O)c2C.
What is the InChIKey of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?
The InChIKey is SXJQETVXQAEWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-13(15)16-12-7-5-9-8(2)11(14)6-4-10(9)12/h4,6,12,14H,3,5,7H2,1-2H3.
What are the key properties of (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate?
(5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate has a molecular weight of 220.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-4-methyl-2,3-dihydro-1H-inden-1-yl) propanoate is sourced from PubChem (CID 91083386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).