4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one

C18H18O — CID 22173366

IUPAC4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)C1Cc2c(cccc2-c2ccccc2)C1=O
InChIInChI=1S/C18H18O/c1-12(2)16-11-17-14(13-7-4-3-5-8-13)9-6-10-15(17)18(16)19/h3-10,12,16H,11H2,1-2H3
InChIKeyDKYAMPFHZOXPBD-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.36
Rot. Bonds2

About 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one

4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 22173366) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID22173366
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)C1Cc2c(cccc2-c2ccccc2)C1=O
InChIInChI=1S/C18H18O/c1-12(2)16-11-17-14(13-7-4-3-5-8-13)9-6-10-15(17)18(16)19/h3-10,12,16H,11H2,1-2H3
InChIKeyDKYAMPFHZOXPBD-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one (CID 22173366) is 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one is CC(C)C1Cc2c(cccc2-c2ccccc2)C1=O.
What is the InChIKey of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is DKYAMPFHZOXPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-12(2)16-11-17-14(13-7-4-3-5-8-13)9-6-10-15(17)18(16)19/h3-10,12,16H,11H2,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).