1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one

C12H14O2 — CID 10511878

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)C1CCc2ccccc21
InChIInChI=1S/C12H14O2/c13-8-7-12(14)11-6-5-9-3-1-2-4-10(9)11/h1-4,11,13H,5-8H2
InChIKeySERZWOCQWWWUDP-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.67
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one

1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one (PubChem CID 10511878) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one
PubChem CID10511878
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one
SMILESO=C(CCO)C1CCc2ccccc21
InChIInChI=1S/C12H14O2/c13-8-7-12(14)11-6-5-9-3-1-2-4-10(9)11/h1-4,11,13H,5-8H2
InChIKeySERZWOCQWWWUDP-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pterosin B
CID 115049
(R)-Pterosin B
CID 5320780
1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-Indancarboxylic Acid
CID 575777
Fluorene-9-acetic acid
CID 94852
1-Indanacetic acid
CID 96501
2-Indanmethanol
CID 228873
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
CID 5174955
Methyl 2-oxo-1-indanecarboxylate
CID 10888732
1-Formyl-2-indanone
CID 441323
1-Hydroxy-5-phenyl-3-pentanone
CID 15316212

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one (CID 10511878) is 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one is O=C(CCO)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one?
The InChIKey is SERZWOCQWWWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-7-12(14)11-6-5-9-3-1-2-4-10(9)11/h1-4,11,13H,5-8H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one?
1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypropan-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.67, 3 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-1-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 10511878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).