2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one

C17H16O — CID 15544000

IUPAC2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
SMILESCc1ccc(CC2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C17H16O/c1-12-6-8-13(9-7-12)10-15-11-14-4-2-3-5-16(14)17(15)18/h2-9,15H,10-11H2,1H3
InChIKeyPVHQASKLLDNZSR-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.59
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one

2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one (PubChem CID 15544000) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
PubChem CID15544000
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
SMILESCc1ccc(CC2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C17H16O/c1-12-6-8-13(9-7-12)10-15-11-14-4-2-3-5-16(14)17(15)18/h2-9,15H,10-11H2,1H3
InChIKeyPVHQASKLLDNZSR-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one (CID 15544000) is 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one is Cc1ccc(CC2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is PVHQASKLLDNZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-6-8-13(9-7-12)10-15-11-14-4-2-3-5-16(14)17(15)18/h2-9,15H,10-11H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one?
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 15544000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).