2-methyl-3-phenylinden-1-one

C16H12O — CID 2750462

IUPAC2-methyl-3-phenylinden-1-one
SMILESCC1=C(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C16H12O/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(11)17/h2-10H,1H3
InChIKeyUDWBAQZJOXYFCY-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.70
Rot. Bonds1

About 2-methyl-3-phenylinden-1-one

2-methyl-3-phenylinden-1-one (PubChem CID 2750462) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-3-phenylinden-1-one.

Molecular Properties

Compound Name2-methyl-3-phenylinden-1-one
PubChem CID2750462
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name2-methyl-3-phenylinden-1-one
SMILESCC1=C(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C16H12O/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(11)17/h2-10H,1H3
InChIKeyUDWBAQZJOXYFCY-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylinden-1-one?
The IUPAC name of 2-methyl-3-phenylinden-1-one (CID 2750462) is 2-methyl-3-phenylinden-1-one.
What is the SMILES notation for 2-methyl-3-phenylinden-1-one?
The canonical SMILES for 2-methyl-3-phenylinden-1-one is CC1=C(c2ccccc2)c2ccccc2C1=O.
What is the InChIKey of 2-methyl-3-phenylinden-1-one?
The InChIKey is UDWBAQZJOXYFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(11)17/h2-10H,1H3.
What are the key properties of 2-methyl-3-phenylinden-1-one?
2-methyl-3-phenylinden-1-one has a molecular weight of 220.27 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylinden-1-one is sourced from PubChem (CID 2750462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).