6-cyclohexyl-2,3-dihydroinden-1-one

C15H18O — CID 125481421

IUPAC6-cyclohexyl-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C15H18O/c16-15-9-8-12-6-7-13(10-14(12)15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyBCMPNQJPGBFHSM-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.86
Rot. Bonds1

About 6-cyclohexyl-2,3-dihydroinden-1-one

6-cyclohexyl-2,3-dihydroinden-1-one (PubChem CID 125481421) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-cyclohexyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-cyclohexyl-2,3-dihydroinden-1-one
PubChem CID125481421
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name6-cyclohexyl-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C15H18O/c16-15-9-8-12-6-7-13(10-14(12)15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyBCMPNQJPGBFHSM-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-cyclohexyl-2,3-dihydroinden-1-one (CID 125481421) is 6-cyclohexyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-cyclohexyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-cyclohexyl-2,3-dihydroinden-1-one is O=C1CCc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 6-cyclohexyl-2,3-dihydroinden-1-one?
The InChIKey is BCMPNQJPGBFHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c16-15-9-8-12-6-7-13(10-14(12)15)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 6-cyclohexyl-2,3-dihydroinden-1-one?
6-cyclohexyl-2,3-dihydroinden-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 125481421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).