1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one

C15H20O2 — CID 103446716

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
SMILESCCC(C)(O)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2/c1-3-15(2,17)14(16)10-11-7-8-12-5-4-6-13(12)9-11/h7-9,17H,3-6,10H2,1-2H3
InChIKeyGGXMCKQOLXXKBO-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.45
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one

1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one (PubChem CID 103446716) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
PubChem CID103446716
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
SMILESCCC(C)(O)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2/c1-3-15(2,17)14(16)10-11-7-8-12-5-4-6-13(12)9-11/h7-9,17H,3-6,10H2,1-2H3
InChIKeyGGXMCKQOLXXKBO-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112006
3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
CID 116558583
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 62679922
1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 107884147
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
N-hydroxy-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 15670573
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one (CID 103446716) is 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one is CCC(C)(O)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one?
The InChIKey is GGXMCKQOLXXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-15(2,17)14(16)10-11-7-8-12-5-4-6-13(12)9-11/h7-9,17H,3-6,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one?
1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one has a molecular weight of 232.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one is sourced from PubChem (CID 103446716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).