2-phenylinden-1-one

C15H10O — CID 10878305

IUPAC2-phenylinden-1-one
SMILESO=C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C15H10O/c16-15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10H
InChIKeyIHULIZVDVYDOPA-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.42
Rot. Bonds1

About 2-phenylinden-1-one

2-phenylinden-1-one (PubChem CID 10878305) has the molecular formula C15H10O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-phenylinden-1-one.

Molecular Properties

Compound Name2-phenylinden-1-one
PubChem CID10878305
Molecular FormulaC15H10O
Molecular Weight206.24 g/mol
Exact Mass206.07
IUPAC Name2-phenylinden-1-one
SMILESO=C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C15H10O/c16-15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10H
InChIKeyIHULIZVDVYDOPA-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylinden-1-one?
The IUPAC name of 2-phenylinden-1-one (CID 10878305) is 2-phenylinden-1-one.
What is the SMILES notation for 2-phenylinden-1-one?
The canonical SMILES for 2-phenylinden-1-one is O=C1C(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of 2-phenylinden-1-one?
The InChIKey is IHULIZVDVYDOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O/c16-15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-phenylinden-1-one?
2-phenylinden-1-one has a molecular weight of 206.24 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylinden-1-one is sourced from PubChem (CID 10878305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).