ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one

C18H20O — CID 91171683

IUPACethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one
SMILESCC.Cc1cc2c(cc1-c1ccccc1)C(=O)CC2
InChIInChI=1S/C16H14O.C2H6/c1-11-9-13-7-8-16(17)15(13)10-14(11)12-5-3-2-4-6-12;1-2/h2-6,9-10H,7-8H2,1H3;1-2H3
InChIKeyZSBYIEJBEUPMEL-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.82
Rot. Bonds1

About ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one

ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one (PubChem CID 91171683) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Nameethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one
PubChem CID91171683
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Nameethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one
SMILESCC.Cc1cc2c(cc1-c1ccccc1)C(=O)CC2
InChIInChI=1S/C16H14O.C2H6/c1-11-9-13-7-8-16(17)15(13)10-14(11)12-5-3-2-4-6-12;1-2/h2-6,9-10H,7-8H2,1H3;1-2H3
InChIKeyZSBYIEJBEUPMEL-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one (CID 91171683) is ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one is CC.Cc1cc2c(cc1-c1ccccc1)C(=O)CC2.
What is the InChIKey of ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one?
The InChIKey is ZSBYIEJBEUPMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O.C2H6/c1-11-9-13-7-8-16(17)15(13)10-14(11)12-5-3-2-4-6-12;1-2/h2-6,9-10H,7-8H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one?
ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 91171683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).