7-phenyl-2,3-dihydroinden-1-one

C15H12O — CID 13146457

IUPAC7-phenyl-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(-c3ccccc3)c21
InChIInChI=1S/C15H12O/c16-14-10-9-12-7-4-8-13(15(12)14)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyCMHFUQFOTPQKBI-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.48
Rot. Bonds1

About 7-phenyl-2,3-dihydroinden-1-one

7-phenyl-2,3-dihydroinden-1-one (PubChem CID 13146457) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 7-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-phenyl-2,3-dihydroinden-1-one
PubChem CID13146457
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name7-phenyl-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(-c3ccccc3)c21
InChIInChI=1S/C15H12O/c16-14-10-9-12-7-4-8-13(15(12)14)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyCMHFUQFOTPQKBI-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-phenyl-2,3-dihydroinden-1-one (CID 13146457) is 7-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-phenyl-2,3-dihydroinden-1-one is O=C1CCc2cccc(-c3ccccc3)c21.
What is the InChIKey of 7-phenyl-2,3-dihydroinden-1-one?
The InChIKey is CMHFUQFOTPQKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c16-14-10-9-12-7-4-8-13(15(12)14)11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 7-phenyl-2,3-dihydroinden-1-one?
7-phenyl-2,3-dihydroinden-1-one has a molecular weight of 208.26 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 13146457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).