6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one

C12H14O2 — CID 135165370

IUPAC6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cc(O)cc2c1CCC2=O
InChIInChI=1S/C12H14O2/c1-7(2)10-5-8(13)6-11-9(10)3-4-12(11)14/h5-7,13H,3-4H2,1-2H3
InChIKeyDHWVJFBQBPAHEE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.64
Rot. Bonds1

About 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one

6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 135165370) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID135165370
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cc(O)cc2c1CCC2=O
InChIInChI=1S/C12H14O2/c1-7(2)10-5-8(13)6-11-9(10)3-4-12(11)14/h5-7,13H,3-4H2,1-2H3
InChIKeyDHWVJFBQBPAHEE-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one (CID 135165370) is 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one is CC(C)c1cc(O)cc2c1CCC2=O.
What is the InChIKey of 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is DHWVJFBQBPAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-7(2)10-5-8(13)6-11-9(10)3-4-12(11)14/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one?
6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 135165370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).